19:1:1     Nanostructured Thermoelectrics: Big Efficiency Gains from Small Features
DOI:10.1002/adma.201000839  JN:ADVANCED MATERIALS  PY:2010
  TC:401  AU: Vineis, Christopher J.;Shakouri, Ali;Majumdar, Arun;Kanatzidis, Mercouri G.;
19:1:2     Nanostructured Thermoelectrics: The New Paradigm?
DOI:10.1021/cm902195j  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:335  AU: Kanatzidis, Mercouri G.;
19:1:3     Recent advances in thermoelectric nanocomposites
DOI:10.1016/j.nanoen.2011.10.001  JN:NANO ENERGY  PY:2012
  TC:137  AU: Liu, Weishu;Yan, Xiao;Chen, Gang;Ren, Zhifeng;
19:1:4     High-performance nanostructured thermoelectric materials
DOI:10.1038/asiamat.2010.138  JN:NPG ASIA MATERIALS  PY:2010
  TC:185  AU: Li, Jing-Feng;Liu, Wei-Shu;Zhao, Li-Dong;Zhou, Min;
19:1:5     High Thermoelectric Performance in PbTe Due to Large Nanoscale Ag-2 Te Precipitates and La Doping
DOI:10.1002/adfm.201000878  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2011
  TC:133  AU: Pei, Yanzhong;Lensch-Falk, Jessica;Toberer, Eric S.;Medlin, Douglas L.;Snyder, G. Jeffrey;
19:1:6     Doping-dependent thermopower of PbTe from Boltzmann transport calculations
DOI:10.1103/PhysRevB.81.195217  JN:PHYSICAL REVIEW B  PY:2010
  TC:86  AU: Singh, David J.;
19:1:7     Band Engineering of Thermoelectric Materials
DOI:10.1002/adma.201202919  JN:ADVANCED MATERIALS  PY:2012
  TC:90  AU: Pei, Yanzhong;Wang, Heng;Snyder, G. J.;
19:1:8     Nanostructures Boost the Thermoelectric Performance of PbS
DOI:10.1021/ja109138p  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2011
  TC:74  AU: Johnsen, Simon;He, Jiaqing;Androulakis, John;Dravid, Vinayak P.;Todorov, Iliya;Chung, Duck. Y.;Kanatzidis, Mercouri G.;
19:1:9     High-temperature thermoelectric performance of heavily doped PbSe
DOI:10.1103/PhysRevB.82.035204  JN:PHYSICAL REVIEW B  PY:2010
  TC:79  AU: Parker, David;Singh, David J.;
19:1:10     Heavily Doped p-Type PbSe with High Thermoelectric Performance: An Alternative for PbTe
DOI:10.1002/adma.201004200  JN:ADVANCED MATERIALS  PY:2011
  TC:103  AU: Wang, Heng;Pei, Yanzhong;LaLonde, Aaron D.;Snyder, G. Jeffrey;
19:1:11     High Performance Thermoelectrics from Earth-Abundant Materials: Enhanced Figure of Merit in PbS by Second Phase Nanostructures
DOI:10.1021/ja208658w  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2011
  TC:56  AU: Zhao, Li-Dong;Lo, Shih-Han;He, Jiaqing;Li, Hao;Biswas, Kanishka;Androulakis, John;Wu, Chun-I;Hogan, Timothy P.;Chung, Duck-Young;Dravid, Vinayak P.;Kanatzidis, Mercouri G.;
19:1:12     High Performance Na-doped PbTe-PbS Thermoelectric Materials: Electronic Density of States Modification and Shape-Controlled Nanostructures
DOI:10.1021/ja206380h  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2011
  TC:84  AU: Girard, Steven N.;He, Jiaqing;Zhou, Xiaoyuan;Shoemaker, Daniel;Jaworski, Christopher M.;Uher, Ctirad;Dravid, Vinayak P.;Heremans, Joseph P.;Kanatzidis, Mercouri G.;
19:1:13     Microstructure-Lattice Thermal Conductivity Correlation in Nanostructured PbTe0.7S0.3 Thermoelectric Materials
DOI:10.1002/adfm.200901905  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2010
  TC:88  AU: He, Jiaqing;Girard, Steven N.;Kanatzidis, Mercouri G.;Dravid, Vinayak P.;
19:1:14     Thermoelectrics from Abundant Chemical Elements: High-Performance Nanostructured PbSe-PbS
DOI:10.1021/ja203022c  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2011
  TC:46  AU: Androulakis, John;Todorov, Iliya;He, Jiaqing;Chung, Duck-Young;Dravid, Vinayak;Kanatzidis, Mercouri;
19:1:15     Exploring Resonance Levels and Nanostructuring in the PbTe-CdTe System and Enhancement of the Thermoelectric Figure of Merit
DOI:10.1021/ja910762q  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2010
  TC:63  AU: Ahn, Kyunghan;Han, Mi-Kyung;He, Jiaqing;Androulakis, John;Ballikaya, Sedat;Uher, Ctirad;Dravid, Vinayak P.;Kanatzidis, Mercouri G.;
19:1:16     Heavy Doping and Band Engineering by Potassium to Improve the Thermoelectric Figure of Merit in p-Type PbTe, PbSe, and PbTe1-ySey
DOI:10.1021/ja301245b  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:44  AU: Zhang, Qian;Cao, Feng;Liu, Weishu;Lukas, Kevin;Yu, Bo;Chen, Shuo;Opeil, Cyril;Broido, David;Chen, Gang;Ren, Zhifeng;
19:1:17     The Criteria for Beneficial Disorder in Thermoelectric Solid Solutions
DOI:10.1002/adfm.201201576  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2013
  TC:44  AU: Wang, Heng;LaLonde, Aaron D.;Pei, Yanzhong;Snyder, G. Jeffery;
19:1:18     On the Origin of Increased Phonon Scattering in Nanostructured PbTe Based Thermoelectric Materials
DOI:10.1021/ja1010948  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2010
  TC:59  AU: He, Jiaqing;Sootsman, Joseph R.;Girard, Steven N.;Zheng, Jin-Cheng;Wen, Jianguo;Zhu, Yimei;Kanatzidis, Mercouri G.;Dravid, Vinayak P.;
19:1:19     Stabilizing the Optimal Carrier Concentration for High Thermoelectric Efficiency
DOI:10.1002/adma.201103153  JN:ADVANCED MATERIALS  PY:2011
  TC:61  AU: Pei, Yanzhong;LaLonde, Aaron D.;Heinz, Nicholas A.;Shi, Xiaoya;Iwanaga, Shiho;Wang, Heng;Chen, Lidong;Snyder, G. Jeffrey;
19:1:20     Thermoelectrics with Earth Abundant Elements: High Performance p-type PbS Nanostructured with SrS and CaS
DOI:10.1021/ja301772w  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:44  AU: Zhao, Li-Dong;He, Jiaqing;Wu, Chun-I;Hogan, Timothy P.;Zhou, Xiaoyuan;Uher, Ctirad;Dravid, Vinayak P.;Kanatzidis, Mercouri G.;
19:1:21     High Thermoelectric Figure of Merit in PbTe Alloys Demonstrated in PbTe-CdTe
DOI:10.1002/aenm.201100770  JN:ADVANCED ENERGY MATERIALS  PY:2012
  TC:33  AU: Pei, Yanzhong;LaLonde, Aaron D.;Heinz, Nicholas A.;Snyder, G. Jeffrey;
19:1:22     Quasiparticle self-consistent GW calculations for PbS, PbSe, and PbTe: Band structure and pressure coefficients
DOI:10.1103/PhysRevB.81.245120  JN:PHYSICAL REVIEW B  PY:2010
  TC:40  AU: Svane, A.;Christensen, N. E.;Cardona, M.;Chantis, A. N.;van Schilfgaarde, M.;Kotani, T.;
19:1:23     Raising the Thermoelectric Performance of p-Type PbS with Endotaxial Nanostructuring and Valence-Band Offset Engineering Using CdS and ZnS
DOI:10.1021/ja306527n  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:38  AU: Zhao, Li-Dong;He, Jiaqing;Hao, Shiqiang;Wu, Chun-I;Hogan, Timothy P.;Wolverton, C.;Dravid, Vinayak P.;Kanatzidis, Mercouri G.;
19:1:24     High Thermoelectric Performance via Hierarchical Compositionally Alloyed Nanostructures
DOI:10.1021/ja403134b  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2013
  TC:35  AU: Zhao, Li-Dong;Hao, Shiqiang;Lo, Shih-Han;Wu, Chun-I;Zhou, Xiaoyuan;Lee, Yeseul;Li, Hao;Biswas, Kanishka;Hogan, Timothy P.;Uher, Ctirad;Wolverton, C.;Dravid, Vinayak P.;Kanatzidis, Mercouri G.;
19:1:25     Thermoelectric enhancement in PbTe with K or Na codoping from tuning the interaction of the light- and heavy-hole valence bands
DOI:10.1103/PhysRevB.82.115209  JN:PHYSICAL REVIEW B  PY:2010
  TC:41  AU: Androulakis, John;Todorov, Iliya;Chung, Duck-Young;Ballikaya, Sedat;Wang, Guoyu;Uher, Ctirad;Kanatzidis, Mercouri;
19:1:26     Thermoelectric alloys between PbSe and PbS with effective thermal conductivity reduction and high figure of merit
DOI:10.1039/c3ta14929c  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:7  AU: Wang, Heng;Wang, Jianli;Cao, Xianlong;Snyder, G. Jeffrey;
19:1:27     In Situ Nanostructure Generation and Evolution within a Bulk Thermoelectric Material to Reduce Lattice Thermal Conductivity
DOI:10.1021/nl100743q  JN:NANO LETTERS  PY:2010
  TC:48  AU: Girard, Steven N.;He, Jiaqing;Li, Changpeng;Moses, Steven;Wang, Guoyu;Uher, Ctirad;Dravid, Vinayak P.;Kanatzidis, Mercouri G.;
19:1:28     Applying Quantitative Microstructure Control in Advanced Functional Composites
DOI:10.1002/adfm.201302899  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2014
  TC:8  AU: Heinz, Nicholas A.;Ikeda, Teruyuki;Pei, Yanzhong;Snyder, G. Jeffrey;
19:1:29     High Figure of Merit in Nanostructured n-Type KPbmSbTem+2 Thermoelectric Materials
DOI:10.1021/cm902001c  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:45  AU: Poudeu, Pierre F. P.;Gueguen, Aurelie;Wu, Chun-I;Hogan, Tim;Kanatzidis, Mercouri G.;
19:1:30     High Thermoelectric Performance of p-Type SnTe via a Synergistic Band Engineering and Nanostructuring Approach
DOI:10.1021/ja500860m  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:5  AU: Tan, Gangjian;Zhao, Li-Dong;Shi, Fengyuan;Doak, Jeff W.;Lo, Shih-Han;Sun, Hui;Wolverton, Chris;Dravid, Vinayak P.;Uher, Ctirad;Kanatzidis, Mercouri G.;
19:1:31     High Thermoelectric Efficiency of n-type PbS
DOI:10.1002/aenm.201200683  JN:ADVANCED ENERGY MATERIALS  PY:2013
  TC:15  AU: Wang, Heng;Schechtel, Eugen;Pei, Yanzhong;Snyder, G. Jeffrey;
19:1:32     High-temperature thermoelectric properties of n-type PbSe doped with Ga, In, and Pb
DOI:10.1103/PhysRevB.83.195209  JN:PHYSICAL REVIEW B  PY:2011
  TC:34  AU: Androulakis, John;Lee, Yeseul;Todorov, Iliya;Chung, Duck-Young;Kanatzidis, Mercouri;
19:1:33     Seeing Is Believing: Weak Phonon Scattering from Nanostructures in Alkali Metal-Doped Lead Telluride
DOI:10.1021/nl203626n  JN:NANO LETTERS  PY:2012
  TC:33  AU: He, Jiaqing;Androulakis, John;Kanatzidis, Mercouri G.;Dravid, Vinayak P.;
19:1:34     Thermopower enhancement in Pb1-xMnxTe alloys and its effect on thermoelectric efficiency
DOI:10.1038/am.2012.52  JN:NPG ASIA MATERIALS  PY:2012
  TC:28  AU: Pei, Yanzhong;Wang, Heng;Gibbs, Zachary M.;LaLonde, Aaron D.;Snyder, G. Jeffrey;
19:1:35     Self-Tuning the Carrier Concentration of PbTe/Ag2Te Composites with Excess Ag for High Thermoelectric Performance
DOI:10.1002/aenm.201000072  JN:ADVANCED ENERGY MATERIALS  PY:2011
  TC:40  AU: Pei, Yanzhong;May, Andrew F.;Snyder, G. Jeffrey;
19:1:36     Electrical and thermal transport properties of Pb-based chalcogenides: PbTe, PbSe, and PbS
DOI:10.1016/j.jallcom.2011.10.036  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:35  AU: Pei, Yan-Ling;Liu, Yong;
19:1:37     High-Performance Tellurium-Free Thermoelectrics: All-Scale Hierarchical Structuring of p-Type PbSe-MSe Systems (M = Ca, Sr, Ba)
DOI:10.1021/ja400069s  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2013
  TC:19  AU: Lee, Yeseul;Lo, Shih-Han;Androulakis, John;Wu, Chun-I;Zhao, Li-Dong;Chung, Duck-Young;Hogan, Timothy P.;Dravid, Vinayak P.;Kanatzidis, Mercouri G.;
19:1:38     First-principles investigation of dual substitutional impurity-induced electronic structural modulation of PbTe on cationic and anionic sites
DOI:10.1016/j.actamat.2013.07.021  JN:ACTA MATERIALIA  PY:2013
  TC:2  AU: Wang, X. G.;Liu, J.;Peng, L. M.;
19:1:39     Enhancement of Thermoelectric Figure of Merit by the Insertion of MgTe Nanostructures in p-type PbTe Doped with Na2Te
DOI:10.1002/aenm.201100756  JN:ADVANCED ENERGY MATERIALS  PY:2012
  TC:21  AU: Ohta, Michihiro;Biswas, Kanishka;Lo, Shih-Han;He, Jiaqing;Chung, Duck Young;Dravid, Vinayak P.;Kanatzidis, Mercouri G.;
19:1:40     Composite thermoelectric materials with embedded nanoparticles
DOI:10.1007/s10853-012-6976-z  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:9  AU: Ma, Yi;Heijl, Richard;Palmqvist, Anders E. C.;
19:1:41     Effect of Silicon and Sodium on Thermoelectric Properties of Thallium-Doped Lead Telluride-Based Materials
DOI:10.1021/nl3002183  JN:NANO LETTERS  PY:2012
  TC:18  AU: Zhang, Qinyong;Wang, Hengzhi;Zhang, Qian;Liu, Weishu;Yu, Bo;Wang, Hui;Wang, Dezhi;Ni, George;Chen, Gang;Ren, Zhifeng;
19:1:42     Phonon Scattering and Thermal Conductivity in p-Type Nanostructured PbTe-BaTe Bulk Thermoelectric Materials
DOI:10.1002/adfm.201201221  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2012
  TC:23  AU: Lo, Shih-Han;He, Jiaqing;Biswas, Kanishka;Kanatzidis, Mercouri G.;Dravid, Vinayak P.;
19:1:43     Anomalous Electronic Transport in Dual-Nanostructured Lead Telluride
DOI:10.1021/ja2006498  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2011
  TC:24  AU: He, J. Q.;Sootsman, J. R.;Xu, L. Q.;Girard, S. N.;Zheng, J. C.;Kanatzidis, M. G.;Dravid, V. P.;
19:1:44     Study of the Thermoelectric Properties of Lead Selenide Doped with Boron, Gallium, Indium, or Thallium
DOI:10.1021/ja307910u  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:12  AU: Zhang, Qian;Cao, Feng;Lukas, Kevin;Liu, Weishu;Esfarjani, Keivan;Opeil, Cyril;Broido, David;Parker, David;Singh, David J.;Chen, Gang;Ren, Zhifeng;
19:1:45     High ZT in p-Type (PbTe)(1-2x)(PbSe)(x)(PbS)(x) Thermoelectric Materials
DOI:10.1021/ja4121583  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:6  AU: Korkosz, Rachel J.;Chasapis, Thomas C.;Lo, Shih-han;Doak, Jeff W.;Kim, Yoon Jun;Wu, Chun-I;Hatzikraniotis, Euripidis;Hogan, Timothy P.;Seidman, David N.;Wolverton, Chris;Dravid, Vinayak P.;Kanatzidis, Mercouri G.;
19:1:46     Tellurium-Free Thermoelectric: The Anisotropic n-Type Semiconductor Bi2S3
DOI:10.1002/aenm.201100775  JN:ADVANCED ENERGY MATERIALS  PY:2012
  TC:19  AU: Biswas, Kanishka;Zhao, Li-Dong;Kanatzidis, Mercouri G.;
19:1:47     Enhanced thermoelectricity in composites by electronic structure modifications and nanostructuring
DOI:10.1063/1.3464288  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:20  AU: Popescua, A.;Woods, L. M.;
19:1:48     Role of Sodium Doping in Lead Chalcogenide Thermoelectrics
DOI:10.1021/ja312562d  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2013
  TC:16  AU: He, Jiaqing;Zhao, Li-Dong;Zheng, Jin-Cheng;Doak, Jeff W.;Wu, Haijun;Wang, Hui-Qiong;Lee, Yeseul;Wolverton, Chris;Kanatzidis, Mercouri G.;Dravid, Vinayak P.;
19:1:49     Impurity clustering and impurity-induced bands in PbTe-, SnTe-, and GeTe-based bulk thermoelectrics
DOI:10.1103/PhysRevB.81.115106  JN:PHYSICAL REVIEW B  PY:2010
  TC:27  AU: Hoang, Khang;Mahanti, S. D.;Kanatzidis, Mercouri G.;
19:1:50     Thermoelectric transport properties of PbTe under pressure
DOI:10.1103/PhysRevB.82.195102  JN:PHYSICAL REVIEW B  PY:2010
  TC:21  AU: Xu, Lanqing;Zheng, Yongping;Zheng, Jin-Cheng;
19:1:51     Optical properties of PbTe and PbSe
DOI:10.1103/PhysRevB.85.085205  JN:PHYSICAL REVIEW B  PY:2012
  TC:12  AU: Ekuma, Chinedu E.;Singh, David J.;Moreno, J.;Jarrell, M.;
19:1:52     Optimum Carrier Concentration in n-Type PbTe Thermoelectrics
DOI:10.1002/aenm.201400486  JN:ADVANCED ENERGY MATERIALS  PY:2014
  TC:5  AU: Pei, Yanzhong;Gibbs, Zachary M.;Gloskovskii, Andrei;Balke, Benjamin;Zeier, Wolfgang G.;Snyder, G. Jeffrey;
19:1:53     Temperature dependent band gap in PbX ( X = S, Se, Te)
DOI:10.1063/1.4858195  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:10  AU: Gibbs, Zachary M.;Kim, Hyoungchul;Wang, Heng;White, Robert L.;Drymiotis, Fivos;Kaviany, Massoud;Snyder, G. Jeffrey;
19:1:54     Thermoelectric property studies on thallium-doped lead telluride prepared by ball milling and hot pressing
DOI:10.1063/1.3452323  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:25  AU: Yu, Bo;Zhang, Qinyong;Wang, Hui;Wang, Xiaowei;Wang, Hengzhi;Wang, Dezhi;Wang, Heng;Snyder, G. Jeffrey;Chen, Gang;Ren, Z. F.;
19:1:55     Rational design of p-type thermoelectric PbTe: temperature dependent sodium solubility
DOI:10.1039/c3ta11654a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:13  AU: Yamini, Sima Aminorroaya;Ikeda, Teruyuki;Lalonde, Aaron;Pei, Yanzhong;Dou, Shi Xue;Snyder, G. Jeffrey;
19:1:56     Energy and temperature dependence of relaxation time and Wiedemann-Franz law on PbTe
DOI:10.1103/PhysRevB.81.165203  JN:PHYSICAL REVIEW B  PY:2010
  TC:25  AU: Ahmad, Salameh;Mahanti, S. D.;
19:1:57     Thermoelectric performance of tellurium-reduced quaternary p-type lead-chalcogenide composites
DOI:10.1016/j.actamat.2014.06.065  JN:ACTA MATERIALIA  PY:2014
  TC:4  AU: Yamini, Sima Aminorroaya;Wang, Heng;Gibbs, Zachary M.;Pei, Yanzhong;Mitchell, David R. G.;Dou, Shi Xue;Snyder, G. Jeffrey;
19:1:58     Fine-Grained and Nanostructured AgPbmSbTem+2 Alloys with High Thermoelectric Figure of Merit at Medium Temperature
DOI:10.1002/aenm.201300937  JN:ADVANCED ENERGY MATERIALS  PY:2014
  TC:4  AU: Li, Zong-Yue;Li, Jing-Feng;
19:1:59     Dopants effect on the band structure of PbTe thermoelectric material
DOI:10.1063/1.4748363  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:12  AU: Takagiwa, Y.;Pei, Y.;Pomrehn, G.;Snyder, G. J.;
19:1:60     Validity of rigid band approximation of PbTe thermoelectric materials
DOI:10.1063/1.4809545  JN:APL MATERIALS  PY:2013
  TC:11  AU: Takagiwa, Yoshiki;Pei, Yanzhong;Pomrehn, Gregory;Snyder, G. Jeffrey;
19:1:61     High Three-Dimensional Thermoelectric Performance from Low-Dimensional Bands
DOI:10.1103/PhysRevLett.110.146601  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:8  AU: Parker, David;Chen, Xin;Singh, David J.;
19:1:62     Thermoelectric properties of PbSe0.5Te0.5: x (PbI2) with endotaxial nanostructures: a promising n-type thermoelectric material
DOI:10.1088/0957-4484/24/21/215401  JN:NANOTECHNOLOGY  PY:2013
  TC:4  AU: Rawat, P. K.;Paul, B.;Banerji, P.;
19:1:63     Fermi surface and electron dispersion of PbTe doped with resonant Tl impurity from KKR-CPA calculations
DOI:10.1103/PhysRevB.88.205205  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Wiendlocha, Bartlomiej;
19:1:64     Exploration of Zn Resonance Levels and Thermoelectric Properties in I-Doped PbTe with ZnTe Nanostructures
DOI:10.1021/am405410e  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:3  AU: Rawat, P. K.;Paul, B.;Banerji, P.;
19:1:65     On the role of lanthanum substitution defects in reducing lattice thermal conductivity of the AgSbTe2 (P4/mmm) thermoelectric compound for energy conversion applications
DOI:10.1016/j.commatsci.2013.05.027  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2013
  TC:5  AU: Amouyal, Yaron;
19:1:66     Improved thermoelectric performance of Nb-doped lead selenide
DOI:10.1016/j.jallcom.2014.02.077  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Han, Yemao;Chen, Zhen;Xin, Caini;Pei, Yanzhong;Zhou, Min;Huang, Rongjin;Li, Laifeng;
19:1:67     Solubility and formation of ternary Widmanstatten precipitates in PbTe in the pseudo-binary PbTe-Bi2Te3 system
DOI:10.1007/s10853-011-5301-6  JN:JOURNAL OF MATERIALS SCIENCE  PY:2011
  TC:13  AU: Ikeda, Teruyuki;Toussaint, Marcus B.;Bergum, Kristin;Iwanaga, Shiho;Snyder, G. Jeffrey;
19:1:68     Strong enhancement of phonon scattering through nanoscale grains in lead sulfide thermoelectrics
DOI:10.1038/am.2014.39  JN:NPG ASIA MATERIALS  PY:2014
  TC:8  AU: Wu, Haijun;Carrete, Jesus;Zhang, Zhiyun;Qu, Yongquan;Shen, Xuetao;Wang, Zhao;Zhao, Li-Dong;He, Jiaqing;
19:1:69     Formation of ordered nano-wire microstructures in thermoelectric Pb-Ag-Sb-Te
DOI:10.1016/j.actamat.2011.10.056  JN:ACTA MATERIALIA  PY:2012
  TC:11  AU: Wu, H. -J.;Chen, S. -W.;Ikeda, T.;Snyder, G. J.;
19:1:70     Lead-Free Thermoelectrics: High Figure of Merit in p-type AgSnmSbTem+2
DOI:10.1002/aenm.201100613  JN:ADVANCED ENERGY MATERIALS  PY:2012
  TC:17  AU: Han, Mi-Kyung;Androulakis, John;Kim, Sung-Jin;Kanatzidis, Mercouri G.;
19:1:71     Analysis of Phase Separation in High Performance PbTePbS Thermoelectric Materials
DOI:10.1002/adfm.201201944  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2013
  TC:10  AU: Girard, Steven N.;Schmidt-Rohr, Klaus;Chasapis, Thomas C.;Hatzikraniotis, Euripides;Njegic, B.;Levin, E. M.;Rawal, A.;Paraskevopoulos, Konstantinos M.;Kanatzidis, Mercouri G.;
19:1:72     Thermoelectric Performance of n-Type (PbTe)(0.75)(PbS)(0.15)(PbSe)(0.1) Composites
DOI:10.1021/am502140h  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:1  AU: Yamini, Sima Aminorroaya;Wang, Heng;Ginting, Dianta;Mitchell, David R. G.;Dou, Shi Xue;Snyder, G. Jeffrey;
19:1:73     Enhanced thermoelectric performance of n-type PbTe bulk materials fabricated by semisolid powder processing
DOI:10.1016/j.jallcom.2014.04.116  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Mei, Deqing;Li, Yang;Yao, Zhehe;Wang, Hui;Zhu, Tiejun;Chen, Shaochen;
19:1:74     Reducing Lattice Thermal Conductivity of the Thermoelectric Compound AgSbTe2 (P4/mmm) by Lanthanum Substitution: Computational and Experimental Approaches
DOI:10.1007/s11664-014-3145-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Amouyal, Yaron;
19:1:75     Alloying to increase the band gap for improving thermoelectric properties of Ag2Te
DOI:10.1039/c1jm13888j  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:19  AU: Pei, Yanzhong;Heinz, Nicholas A.;Snyder, G. Jeffrey;
19:1:76     Ternary eutectic growth of nanostructured thermoelectric Ag-Pb-Te materials
DOI:10.1063/1.4733661  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:5  AU: Wu, Hsin-jay;Foo, Wei-jian;Chen, Sinn-wen;Snyder, G. Jeffrey;
19:1:77     PbTe-based thermoelectric nanocomposites with reduced thermal conductivity by SiC nanodispersion
DOI:10.1063/1.4869220  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Li, Zong-Yue;Li, Jing-Feng;Zhao, Wen-Yang;Tan, Qing;Wei, Tian-Ran;Wu, Chao-Feng;Xing, Zhi-Bo;
19:1:78     Valence-band structure of highly efficient p-type thermoelectric PbTe-PbS alloys
DOI:10.1103/PhysRevB.87.045203  JN:PHYSICAL REVIEW B  PY:2013
  TC:15  AU: Jaworski, Christopher M.;Nielsen, Michele D.;Wang, Hsin;Girard, Steven N.;Cai, Wei;Porter, Wally D.;Kanatzidis, Mercouri G.;Heremans, Joseph P.;
19:1:79     Size control of Sb2Te3 Widmanstatten precipitates in thermoelectric PbTe
DOI:10.1016/j.actamat.2011.01.006  JN:ACTA MATERIALIA  PY:2011
  TC:19  AU: Ikeda, Teruyuki;Marolf, Nathan J.;Bergum, Kristin;Toussaint, Marcus B.;Heinz, Nicholas A.;Ravi, Vilupanur A.;Snyder, G. Jeffrey;
19:1:80     Morphological evolution of Ag2Te precipitates in thermoelectric PbTe
DOI:10.1016/j.jallcom.2010.05.054  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:21  AU: Lensch-Falk, J. L.;Sugar, J. D.;Hekmaty, M. A.;Medlin, D. L.;
19:1:81     Enhanced thermoelectric properties of (PbTe)(0.88)(PbS)(0.12) composites by Bi doping
DOI:10.1016/j.jallcom.2012.08.041  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:5  AU: Li, X. X.;Li, J. Q.;Liu, F. S.;Ao, W. Q.;Li, H. T.;Pan, L. C.;
19:1:82     Searching for the best thermoelectrics through the optimization of transport distribution function
DOI:10.1063/1.3563097  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:13  AU: Fan, Zheyong;Wang, Hui-Qiong;Zheng, Jin-Cheng;
19:1:83     Nanodopant-Induced Band Modulation in AgPbmSbTe2+m-Type Thermoelectrics
DOI:10.1103/PhysRevLett.106.206601  JN:PHYSICAL REVIEW LETTERS  PY:2011
  TC:12  AU: Zhang, Yi;Ke, Xuezhi;Chen, Changfeng;Yang, Jihui;Kent, Paul R. C.;
19:1:84     Morphology Control of Nanostructures: Na-Doped PbTe-PbS System
DOI:10.1021/nl303449x  JN:NANO LETTERS  PY:2012
  TC:20  AU: He, Jiaqing;Blum, I. D.;Wang, Hui-Qiong;Girard, S. N.;Doak, J.;Zhao, Li-Dong;Zheng, Jin-Cheng;Casillas, G.;Wolverton, C.;Jose-Yacaman, M.;Seidman, D. N.;Kanatzidis, M. G.;Dravid, V. P.;
19:1:85     Phase equilibria of Ag-Sb-Te thermoelectric materials
DOI:10.1016/j.actamat.2011.07.010  JN:ACTA MATERIALIA  PY:2011
  TC:7  AU: Wu, Hsin-Jay;Chen, Sinn-Wen;
19:1:86     A weak compatibility condition for precipitation with application to the microstructure of PbTe-Sb2Te3 thermoelectrics
DOI:10.1016/j.actamat.2011.06.025  JN:ACTA MATERIALIA  PY:2011
  TC:6  AU: Chen, Xian;Cao, Shanshan;Ikeda, Teruyuki;Srivastava, Vijay;Snyder, G. Jeffrey;Schryvers, Dominique;James, Richard D.;
19:1:87     Strong Phonon Scattering by Layer Structured PbSnS2 in PbTe Based Thermoelectric Materials
DOI:10.1002/adma.201201565  JN:ADVANCED MATERIALS  PY:2012
  TC:18  AU: He, Jiaqing;Girard, Steven N.;Zheng, Jin-Cheng;Zhao, Lidong;Kanatzidis, Mercouri G.;Dravid, Vinayak P.;
19:1:88     Dramatic enhancement of thermoelectric power factor in PbTe:Cr co-doped with iodine
DOI:10.1063/1.3603962  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:16  AU: Paul, Biplab;Rawat, P. K.;Banerji, P.;
19:1:89     Camel-back band-induced power factor enhancement of thermoelectric lead-tellurium from Boltzmann transport calculations
DOI:10.1063/1.4870494  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Wang, X. G.;Wang, L.;Liu, J.;Peng, L. M.;
19:1:90     Facile precipitation of two phase alloys in SnTe0.75Se0.25 with improved power factor
DOI:10.1016/j.jallcom.2013.10.217  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Tan, Li Ping;Sun, Ting;Fan, Shufen;Ramanujan, Raju V.;Hng, Huey Hoon;
19:1:91     Microstructures and nanostructures in long-term annealed AgPb18SbTe20 (LAST-18) compounds and their influence on the thermoelectric properties
DOI:10.1557/jmr.2011.142  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:14  AU: Dadda, Jayaram;Mueller, Eckhard;Perlt, Susanne;Hoeche, Thomas;Pereira, Paula Bauer;Hermann, Raphal P.;
19:1:92     Increased thermoelectric performance by Cl doping in nanostructured AgPb18SbSe20-xClx
DOI:10.1016/j.nanoen.2013.09.009  JN:NANO ENERGY  PY:2013
  TC:3  AU: Zhang, Qian;Lan, Yucheng;Yang, Silong;Cao, Feng;Yao, Mengliang;Opeil, Cyril;Broido, David;Chen, Gang;Ren, Zhifeng;
19:1:93     Formation of highly oriented large nanoscale In2Te3 precipitates in bulk Bi2Te3
DOI:10.1016/j.actamat.2012.05.004  JN:ACTA MATERIALIA  PY:2012
  TC:7  AU: Heinz, Nicholas A.;Ikeda, Teruyuki;Snyder, G. Jeffrey;
19:1:94     Increase in the Figure of Merit by Cd-Substitution in Sn1-xPbxTe and Effect of Pb/Sn Ratio on Thermoelectric Properties
DOI:10.1002/aenm.201200083  JN:ADVANCED ENERGY MATERIALS  PY:2012
  TC:3  AU: Han, Mi-Kyung;Zhou, Xiaoyuen;Uher, Ctirad;Kim, Sung-Jin;Kanatzidis, Mercouri G.;
19:1:95     The New Phase [TI4Sb6Se10][Sn5Sb2Se14]: A Naturally Formed Semiconducting Heterostructure with Two-Dimensional Conductance
DOI:10.1021/ja505301y  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:1  AU: Fang, Lei;Iyer, Ratnasabapathy G.;Tan, Gangjian;West, Damien J.;Zhang, Shengbai;Kanatzidis, Mercouri G.;
19:1:96     Scandium resonant impurity level in PbTe
DOI:10.1063/1.4870230  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:5  AU: Skipetrov, E. P.;Skipetrova, L. A.;Knotko, A. V.;Slynko, E. I.;Slynko, V. E.;
19:1:97     Electronic Properties as a Function of Ag/Sb Ratio in Ag1-yPb18Sb1+zTe20 Compounds
DOI:10.1007/s11664-012-2111-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Dadda, Jayaram;Mueller, Eckhard;Klobes, Benedikt;Pereira, Paula Bauer;Hermann, Raphael;
19:1:98     Enhanced Thermoelectric Properties of (PbTe)(0.88)(PbS)(0.12) Composites by Sb Doping
DOI:10.1007/s11664-012-2352-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Li, J. Q.;Li, X. X.;Liu, F. S.;Ao, W. Q.;Li, H. T.;
19:1:99     A combinatorial approach to microstructure and thermopower of bulk thermoelectric materials: the pseudo-ternary PbTe-Ag2Te-Sb2Te3 system
DOI:10.1039/c2jm32677a  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:5  AU: Ikeda, Teruyuki;Iwanaga, Shiho;Wu, Hsin-jay;Marolf, Nathan J.;Chen, Sinn-wen;Snyder, G. Jeffrey;
19:1:100     Microstructure composite-like Bi2S3 polycrystals with enhanced thermoelectric properties
DOI:10.1039/c2jm33603k  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:5  AU: Ge, Zhen-Hua;Zhang, Bo-Ping;Li, Jing-Feng;
19:1:101     Co3M2S2 (M = Sn, In) shandites as tellurium-free thermoelectrics
DOI:10.1039/c3ta11264k  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:9  AU: Corps, Jack;Vaqueiro, Paz;Powell, Anthony V.;
19:1:102     Lead-free thermoelectrics: promising thermoelectric performance in p-type SnTe1-xSex system
DOI:10.1039/c4ta01333f  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:14  AU: Banik, Ananya;Biswas, Kanishka;
19:1:103     Validity of the rigid band approximation in the study of the thermopower of narrow band gap semiconductors
DOI:10.1103/PhysRevB.85.165149  JN:PHYSICAL REVIEW B  PY:2012
  TC:11  AU: Lee, Mal-Soon;Mahanti, S. D.;
19:1:104     Chromium as resonant donor impurity in PbTe
DOI:10.1103/PhysRevB.85.045210  JN:PHYSICAL REVIEW B  PY:2012
  TC:11  AU: Nielsen, M. D.;Levin, E. M.;Jaworski, C. M.;Schmidt-Rohr, K.;Heremans, J. P.;
19:1:105     Phase separation and thermoelectric properties of Ag2Te-doped PbTe0.9S0.1
DOI:10.1016/j.actamat.2012.09.037  JN:ACTA MATERIALIA  PY:2012
  TC:3  AU: Zhang, He;Luo, Jun;Zhu, Hang-Tian;Liang, Jing-Kui;Ruan, Li-Min;Liu, Quan-Lin;Li, Jing-Bo;Liu, Guang-Yao;
19:1:106     Precipitate morphologies of pseudobinary Sb2Te3-PbTe thermoelectric compounds
DOI:10.1016/j.actamat.2013.10.072  JN:ACTA MATERIALIA  PY:2014
  TC:4  AU: Liu, Yunya;Chen, Luqin;Li, Jiangyu;
19:1:107     Enhancing the thermoelectric figure of merit through the reduction of bipolar thermal conductivity with heterostructure barriers
DOI:10.1063/1.4892653  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:3  AU: Bahk, Je-Hyeong;Shakouri, Ali;
19:1:108     Determining conductivity and mobility values of individual components in multiphase composite Cu1.97Ag0.03Se
DOI:10.1063/1.4897435  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Day, Tristan W.;Zeier, Wolfgang G.;Brown, David R.;Melot, Brent C.;Snyder, G. Jeffrey;
19:1:109     Understanding Nanostructures in Thermoelectric Materials: An Electron Microscopy Study of AgPb18SbSe20 Crystals
DOI:10.1021/cm102016j  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:14  AU: Lioutas, Christos B.;Frangis, Nikolaos;Todorov, Iliya;Chung, Duck Young;Kanatzidis, Mercouri G.;
19:1:110     Microstructures and liquidus projection of the ternary Ag-Sb-Te system
DOI:10.1016/j.jallcom.2010.09.200  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:12  AU: Wu, Hsin-jay;Chen, Sinn-wen;
19:1:111     Comparison of thermoelectric performance of AgPbxSbTe20 (x=20-22.5) polycrystals fabricated by different methods
DOI:10.1016/j.jallcom.2012.09.065  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:10  AU: Li, Zong-Yue;Zou, Minmin;Li, Jing-Feng;
19:1:112     Origin of the High Performance in GeTe-Based Thermoelectric Materials upon Bi2Te3 Doping
DOI:10.1021/ja504896a  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:1  AU: Wu, Di;Zhao, Li-Dong;Hao, Shiqiang;Jiang, Qike;Zheng, Fengshan;Doak, Jeff W.;Wu, Haijun;Chi, Hang;Gelbstein, Y.;Uher, C.;Wolverton, C.;Kanatzidis, Mercouri;He, Jiaqing;
19:1:113     Dopant Distributions in PbTe-Based Thermoelectric Materials
DOI:10.1007/s11664-012-1972-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:11  AU: Blum, Ivan D.;Isheim, Dieter;Seidman, David N.;He, Jiaqing;Androulakis, John;Biswas, Kanishka;Dravid, Vinayak P.;Kanatzidis, Mercouri G.;
19:1:114     Coupled hydrothermal synthesis/hot pressing of PbSe/C@PbTe heterostructured composites with enhanced thermoelectric performance
DOI:10.1016/j.matlet.2013.11.097  JN:MATERIALS LETTERS  PY:2014
  TC:1  AU: Liu, Jing;Wang, Xiaoguang;Wang, Liu;Peng, Liangming;
19:1:115     Facile synthesis of Cu7Te4 nanorods and the enhanced thermoelectric properties of Cu7Te4-Bi0.4Sb1.6Te3 nanocomposites
DOI:10.1016/j.nanoen.2012.07.004  JN:NANO ENERGY  PY:2013
  TC:2  AU: Tan, Li Ping;Sun, Ting;Fan, Shufen;Ng, Lay Yong;Suwardi, Ady;Yan, Qingyu;Hng, Huey Hoon;
19:1:116     Nanostructuring of Thermoelectric Mg2Si via a Nonequilibrium Intermediate State
DOI:10.1002/smll.201200386  JN:SMALL  PY:2012
  TC:12  AU: Ikeda, Teruyuki;Haviez, Laura;Li, Youli;Snyder, G. Jeffrey;
19:1:117     High-temperature charge and thermal transport properties of the n-type thermoelectric material PbSe
DOI:10.1103/PhysRevB.84.155207  JN:PHYSICAL REVIEW B  PY:2011
  TC:12  AU: Androulakis, John;Chung, Duck-Young;Su, Xianli;Zhang, Li;Uher, Ctirad;Hasapis, Thomas C.;Hatzikraniotis, Euripides;Paraskevopoulos, Konstantinos M.;Kanatzidis, Mercouri G.;
19:1:118     Localization and magnetism of the resonant impurity states in Ti doped PbTe
DOI:10.1063/1.4896856  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Wiendlocha, Bartlomiej;
19:1:119     Study of lattice thermal conductivity of PbS
DOI:10.1016/j.jallcom.2013.09.081  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Wei, Li;Chen, Jun-fang;He, Qin-yu;Teng, Wang;
19:1:120     Theoretical Prediction and Experimental Confirmation of Unusual Ternary Ordered Semiconductor Compounds in Sr-Pb-S System
DOI:10.1021/ja411857y  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:2  AU: Hao, Shiqiang;Zhao, Li-Dong;Chen, Chang-Qiang;Dravid, Vinayak P.;Kanatzidis, Mercouri G.;Wolverton, Christopher M.;
19:1:121     Thermoelectric properties of Bi-doped PbTe composites
DOI:10.1063/1.3586240  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:9  AU: Popescu, A.;Datta, A.;Nolas, G. S.;Woods, L. M.;
19:1:122     Thermoelectric properties of PbTe with encapsulated bismuth secondary phase
DOI:10.1063/1.4796148  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:5  AU: Bali, Ashoka;Royanian, Esmaeil;Bauer, Ernst;Rogl, Peter;Mallik, Ramesh Chandra;
19:1:123     Enhanced thermoelectric performance in graphitic ZnO (0001) nanofilms
DOI:10.1063/1.4792469  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Li, Yan-Li;Fan, Zheyong;Zheng, Jin-Cheng;
19:1:124     Large enhancement in the thermoelectric properties of Pb0.98Na0.02Te by optimizing the synthesis conditions
DOI:10.1039/c3ta11825h  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:7  AU: Wang, Hongchao;Bahk, Je-Hyeong;Kang, Chanyoung;Hwang, Junphil;Kim, Kangmin;Shakouri, Ali;Kim, Woochul;
19:1:125     Thermoelectric transport properties of the n-type impurity Al in PbTe
DOI:10.1103/PhysRevB.85.033204  JN:PHYSICAL REVIEW B  PY:2012
  TC:9  AU: Jaworski, Christopher M.;Heremans, Joseph P.;
19:1:126     Lattice contribution to the high dielectric constant of PbTe
DOI:10.1103/PhysRevB.87.115204  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Leite Alves, H. W.;Neto, A. R. R.;Scolfaro, L. M. R.;Myers, T. H.;Borges, P. D.;
19:1:127     Enhanced thermoelectric performance in the very low thermal conductivity Ag2Se0.5Te0.5
DOI:10.1063/1.4824353  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:4  AU: Drymiotis, Fivos;Day, Tristan W.;Brown, David R.;Heinz, Nicholas A.;Snyder, G. Jeffrey;
19:1:128     The effect of chromium impurity on the thermoelectric properties of PbTe in the temperature range 100-600 K
DOI:10.1063/1.3592349  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:9  AU: Paul, Biplab;Banerji, P.;
19:1:129     Thermoelectric properties of n-type PbSe revisited
DOI:10.1063/1.4728229  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:7  AU: Parker, David;Singh, David J.;Zhang, Qinyong;Ren, Zhifeng;
19:1:130     Thermoelectric properties of p-type polycrystalline SnSe doped with Ag
DOI:10.1039/c4ta01643b  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:28  AU: Chen, Cheng-Lung;Wang, Heng;Chen, Yang-Yuan;Day, Tristan;Snyder, G. Jeffrey;
19:1:131     SnTe-AgBiTe2 as an efficient thermoelectric material with low thermal conductivity
DOI:10.1039/c4ta05530f  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:8  AU: Tan, Gangjian;Shi, Fengyuan;Sun, Hui;Zhao, Li-Dong;Uher, Ctirad;Dravid, Vinayak P.;Kanatzidis, Mercouri G.;
19:1:132     Titanium forms a resonant level in the conduction band of PbTe
DOI:10.1103/PhysRevB.84.205126  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: Koenig, Jan D.;Nielsen, Michele D.;Gao, Yi-Bin;Winkler, Markus;Jacquot, Alexandre;Boettner, Harald;Heremans, Joseph P.;
19:1:133     High thermoelectric performance of nonequilibrium synthesized CeFe4Sb12 composite with multi-scaled nanostructures
DOI:10.1063/1.4827555  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:5  AU: Tan, Gangjian;Zheng, Yun;Tang, Xinfeng;
19:1:134     Reduced thermal conductivity in niobium-doped calcium-manganate compounds for thermoelectric applications
DOI:10.1063/1.4901269  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Graff, Ayelet;Amouyal, Yaron;
19:1:135     Solution-Based Synthesis and Low-Temperature Transport Properties of CsBi4Te6
DOI:10.1021/am201411g  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2012
  TC:2  AU: Datta, Anuja;Nolas, George S.;
19:1:136     Thermoelectric Properties of the Compounds APb(m)LaTe(m+2)
DOI:10.1021/cm901668h  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:8  AU: Ahn, Kyunghan;Li, Chang-Peng;Uher, Ctirad;Kanatzidis, Mercouri G.;
19:1:137     Microwave Synthesis of Microstructured and Nanostructured Metal Chalcogenides from Elemental Precursors in Phosphonium Ionic Liquids
DOI:10.1021/ja508628q  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:0  AU: Ding, Kunlun;Lu, Hong;Zhang, Yichi;Snedaker, Matthew L.;Liu, Deyu;Macia-Agullo, Juan Antonio;Stucky, Galen D.;
19:1:138     Thermoelectric properties of indium doped PbTe1-ySey alloys
DOI:10.1063/1.4890320  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Bali, Ashoka;Wang, Heng;Snyder, G. Jeffrey;Mallik, Ramesh Chandra;
19:1:139     Thermoelectric Performance of AgPbxSbTe20 (x=17 to 23) Bulk Materials Derived from Large-Particle Raw Materials
DOI:10.1007/s11664-011-1869-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Li, Zong-Yue;Li, Jing-Feng;
19:1:140     Macro and Micro-Scale Features of Thermoelectric PbTe (Br, Na) Systems: Micro-FTIR Spectroscopy, Micro-Seebeck Measurements, and SEM/EDX Observations
DOI:10.1007/s11664-014-3163-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Stefanaki, E. C.;Polymeris, G. S.;Nikolic, P. M.;Papageorgiou, Ch;Pavlidou, E.;Hatzikraniotis, E.;Kyratsi, Th;Paraskevopoulos, K. M.;
19:1:141     Thermoelectric Properties of Two-Phase PbTe with Indium Inclusions
DOI:10.1007/s11664-013-2819-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Bali, Ashoka;Kim, Il-Ho;Rogl, Peter;Mallik, Ramesh Chandra;
19:1:142     Control of anisotropic electrical transport property of Bi2S3 thermoelectric polycrystals
DOI:10.1039/c1jm11069a  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:20  AU: Ge, Zhen-Hua;Zhang, Bo-Ping;Shang, Peng-Peng;Li, Jing-Feng;
19:1:143     Far infrared study of local impurity modes of Boron-doped PbTe
DOI:10.1007/s10853-011-6057-8  JN:JOURNAL OF MATERIALS SCIENCE  PY:2012
  TC:1  AU: Nikolic, P. M.;Paraskevopoulos, K. M.;Zachariadis, G.;Valasiadis, O.;Zorba, T. T.;Vujatovic, S. S.;Nikolic, N.;Aleksic, O. S.;Ivetic, T.;Cvetkovic, O.;Blagojevic, V.;Nikolic, M. V.;
19:1:144     The microstructure, liquidus projection and thermodynamic modeling of thermoelectric Ag-Pb-Te system
DOI:10.1016/j.matchemphys.2013.05.072  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2013
  TC:4  AU: Wu, Hsin-jay;Foo, Wei-jian;Gierlotka, Wojciech;Chen, Sinn-wen;Snyder, G. Jeffrey;
19:1:145     Calculated electronic structure of Pb1-xMnxTe (0 <= x < 11%): The role of L and Sigma valence band maxima
DOI:10.1103/PhysRevB.83.115206  JN:PHYSICAL REVIEW B  PY:2011
  TC:7  AU: Lusakowski, A.;Boguslawski, P.;Radzynski, T.;
19:1:146     Coherent and incoherent phase stabilities of thermoelectric rocksalt IV-VI semiconductor alloys
DOI:10.1103/PhysRevB.86.144202  JN:PHYSICAL REVIEW B  PY:2012
  TC:7  AU: Doak, Jeff W.;Wolverton, C.;
19:1:147     Fermi level pinning in Fe-doped PbTe under pressure
DOI:10.1063/1.4890381  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:2  AU: Skipetrov, E. P.;Kruleveckaya, O. V.;Skipetrova, L. A.;Slynko, E. I.;Slynko, V. E.;
19:1:148     Structural, optical and electrical properties of solvothermally synthesized PbTe nanodisks
DOI:10.1016/j.apt.2012.06.005  JN:ADVANCED POWDER TECHNOLOGY  PY:2013
  TC:7  AU: Kungumadevi, L.;Sathyamoorthy, R.;
19:1:149     Enhanced thermoelectric performance of chloride doped bismuth sulfide prepared by mechanical alloying and spark plasma sintering
DOI:10.1016/j.jallcom.2013.10.185  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Du, Xueli;Cai, Fengshi;Wang, Xuewei;
19:1:150     Thermoelectric transport in indium and aluminum-doped lead selenide
DOI:10.1063/1.4862812  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Evola, E. G.;Nielsen, M. D.;Jaworski, C. M.;Jin, H.;Heremans, J. P.;
19:1:151     Thermoelectric Properties of CdTe1-xClx Material Prepared by Spark Plasma Sintering Method
DOI:10.1007/s11664-014-3237-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Wu, Menglei;Xiao, Yukun;Fu, Zhengping;Li, Zhixiang;Xu, Jingtao;Jiang, Jun;Jiang, Haochuan;Xu, Gaojie;
19:1:152     Charge Kondo Anomalies in PbTe Doped with Tl Impurities
DOI:10.1103/PhysRevLett.108.036402  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:7  AU: Costi, T. A.;Zlatic, V.;
19:1:153     Reduction of thermal conductivity in PbTe:Tl by alloying with TlSbTe2
DOI:10.1103/PhysRevB.83.024303  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: Wang, Heng;Charoenphakdee, Anek;Kurosaki, Ken;Yamanaka, Shinsuke;Snyder, G. Jeffrey;
19:1:154     Galvanically Displaced Ultralong PbxSeyNiz Hollow Nanofibers with High Thermopower
DOI:10.1021/cm4041067  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:3  AU: Zhang, Miluo;Kim, Jiwon;Kim, Seil;Park, Hosik;Jung, Hyunsung;Ndifor-Angwafor, N. George;Lim, Jaehong;Choa, Yongho;Myung, Nosang V.;
19:1:155     Composition optimization of p-type AgSnmSbTem+2 thermoelectric materials synthesized by mechanical alloying and spark plasma sintering
DOI:10.1016/j.jallcom.2014.06.176  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Xing, Zhi-Bo;Li, Zong-Yue;Tan, Qing;Wei, Tian-Ran;Wu, Chao-Feng;Li, Jing-Feng;
19:1:156     Improvements of the thermoelectric properties of PbTe via simultaneous doping with indium and iodine
DOI:10.1063/1.3694742  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Guch, Mykhailo;Sankar, Cheriyedath Raj;Salvador, James R.;Meisner, Gregory P.;Kleinke, Holger;
19:1:157     Scanning Seebeck Coefficient Measurement System for Homogeneity Characterization of Bulk and Thin-Film Thermoelectric Materials
DOI:10.1007/s11664-012-2039-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:10  AU: Iwanaga, Shiho;Snyder, G. Jeffrey;
19:1:158     Improved Thermoelectric Properties of Se-Doped n-Type PbTe1-x Se (x) (0 a parts per thousand currency sign x a parts per thousand currency sign 1)
DOI:10.1007/s11664-013-2645-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Basu, Ranita;Bhattacharya, S.;Bhatt, Ranu;Singh, Ajay;Aswal, D. K.;Gupta, S. K.;
19:1:159     A comprehensive study of the crystallization of Cu-As-Te glasses: microstructure and thermoelectric properties
DOI:10.1039/c3ta11159h  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:9  AU: Vaney, J. B.;Delaizir, G.;Alleno, E.;Rouleau, O.;Piarristeguy, A.;Monnier, J.;Godart, C.;Ribes, M.;Escalier, R.;Pradel, A.;Goncalves, A. P.;Lopes, E. B.;Cuello, G. J.;Ziolkowski, P.;Mueller, E.;Candolfi, C.;Dauscher, A.;Lenoir, B.;
19:1:160     Transmission electron microscopy study of Pb-depleted disks in PbTe-based alloys
DOI:10.1557/jmr.2010.96  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:13  AU: Wang, Hengzhi;Zhang, Qinyong;Yu, Bo;Wang, Hui;Liu, Weishu;Chen, Gang;Ren, Zhifeng;
19:1:161     Microstructure and thermoelectric properties of InSb compound with nonsoluble NiSb in situ precipitates
DOI:10.1557/jmr.2013.353  JN:JOURNAL OF MATERIALS RESEARCH  PY:2013
  TC:1  AU: Jiang, Guangyu;Chen, Yi;Zhu, Tiejun;Liu, Xiaohua;Zhao, Xinbing;
19:1:162     Structural and electronic properties of Pb1-xCdxTe and Pb1-xMnxTe ternary alloys
DOI:10.1103/PhysRevB.86.085205  JN:PHYSICAL REVIEW B  PY:2012
  TC:1  AU: Bukala, M.;Sankowski, P.;Buczko, R.;Kacman, P.;
19:1:163     Atomistic approach to alloy scattering in Si1-xGex
DOI:10.1063/1.3583983  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:9  AU: Mehrotra, Saumitra R.;Paul, Abhijeet;Klimeck, Gerhard;
19:1:164     Lattice dynamics of PbTe polymorphs from first principles
DOI:10.1016/j.commatsci.2011.12.030  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2012
  TC:5  AU: Kong, Fanjie;Liu, Yanhua;Wang, Baolin;Wang, Yanzong;Wang, Lili;
19:1:165     Temperature effects on the energy bandgap and conductivity effective masses of charge carriers in lead telluride from first-principles calculations
DOI:10.1063/1.4887071  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Venkatapathi, S.;Dong, B.;Hin, C.;
19:1:166     Thermoelectric properties of Ag-doped bismuth sulfide polycrystals prepared by mechanical alloying and spark plasma sintering
DOI:10.1016/j.matchemphys.2011.09.010  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2011
  TC:9  AU: Yu, Yi-Qiang;Zhang, Bo-Ping;Ge, Zhen-Hua;Shang, Peng-Peng;Chen, Yue-Xing;
19:1:167     Elastic and mechanical properties of intrinsic and doped PbSe and PbTe studied by first-principles
DOI:10.1016/j.matchemphys.2014.03.055  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2014
  TC:2  AU: Petersen, John E.;Scolfaro, Luisa M.;Myers, Thomas H.;
19:1:168     Effect of aluminum on the thermoelectric properties of nanostructured PbTe
DOI:10.1088/0957-4484/24/34/345705  JN:NANOTECHNOLOGY  PY:2013
  TC:3  AU: Zhang, Qinyong;Yang, Siqi;Zhang, Qian;Chen, Shuo;Liu, Weishu;Wang, Hui;Tian, Zhiting;Broido, David;Chen, Gang;Ren, Zhifeng;
19:1:169     Effects of Bi2Se3 Nanoparticle Inclusions on the Microstructure and Thermoelectric Properties of Bi2Te3-Based Nanocomposites
DOI:10.1007/s11664-012-2255-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Kim, Heejin;Han, Mi-Kyung;Yo, Chul-Hyun;Lee, Wooyoung;Kim, Sung-Jin;
19:1:170     Synthesis and Thermoelectric Properties of LAST System Bulk Materials: Substitution of Sulfur for Tellurium
DOI:10.1007/s11664-012-1954-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Yu, Zhao-xin;Li, Jing-Feng;Zhang, Bo-Ping;Ge, Zhen-Hua;
19:1:171     Effects of surface structure and Ag-Sb nanodots on electronic properties of PbTe (100) facets from first-principles calculations
DOI:10.1016/j.scriptamat.2012.03.010  JN:SCRIPTA MATERIALIA  PY:2012
  TC:2  AU: Wang, Xiaoguang;Liu, Jing;Peng, Liangming;
19:1:172     Enhanced thermoelectric power factor with impurity-induced resonant level
DOI:10.1063/1.3624467  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:3  AU: Liu, M.;Qin, X. Y.;Liu, C. S.;Zeng, Z.;
19:1:173     Thermal Properties of Bi Doped PbTe Simulated by Molecular Dynamics
DOI:10.1080/10584587.2014.905415  JN:INTEGRATED FERROELECTRICS  PY:2014
  TC:1  AU: Phewphong, Sunti;Rittiruam, Meena;Kantee, Samred;Seetawan, Tosawat;
19:1:174     Pb1-x Sn (x) Te Alloys: Application Considerations
DOI:10.1007/s11664-010-1435-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:5  AU: Gelbstein, Yaniv;
19:1:175     Thermoelectric Properties of Pulsed Electric Current Sintered Samples of AgPbmSbSe17 (m=16 or 17)
DOI:10.1007/s11664-011-1845-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:0  AU: Wu, Chun-I;Todorov, Ilyia;Kanatzidis, Mercouri G.;Timm, Edward;Case, Eldon D.;Schock, Harold;Hogan, Timothy P.;
19:1:176     Thermopower Enhancement of Bi2Te3 Films by Doping I Ions
DOI:10.1007/s11664-013-2934-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Kim, Kwang-Chon;Baek, Seung-Hyub;Kim, Hyun Jae;Hyun, Dow-Bin;Kim, Seong Keun;Kim, Jin-Sang;
19:1:177     Correlation of anomalous normal state properties with superconductivity in Pb1-x-yTlxInyTe
DOI:10.1103/PhysRevB.81.134521  JN:PHYSICAL REVIEW B  PY:2010
  TC:5  AU: Erickson, A. S.;Breznay, N. P.;Nowadnick, E. A.;Geballe, T. H.;Fisher, I. R.;
19:1:178     Publisher's Note: Impurity clustering and impurity-induced bands in PbTe-, SnTe-, and GeTe-based bulk thermoelectrics (vol 81, 115106, 2010)
DOI:10.1103/PhysRevB.81.119904  JN:PHYSICAL REVIEW B  PY:2010
  TC:0  AU: Hoang, Khang;Mahanti, S. D.;Kanatzidis, Mercouri G.;
19:1:179     Electronic structure, magnetism, and spin fluctuations in the superconducting weak ferromagnet Y4Co3
DOI:10.1103/PhysRevB.83.094408  JN:PHYSICAL REVIEW B  PY:2011
  TC:3  AU: Wiendlocha, B.;Tobola, J.;Kaprzyk, S.;Kolodziejczyk, A.;
19:1:180     Localization and magnetism of the resonant impurity states in Ti doped PbTe (vol 105, 133901, 2014)
DOI:10.1063/1.4898386  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Wiendlocha, Bartlomiej;
19:1:181     Electrical behaviors for growth of LAST alloys using vapor phase deposition
DOI:10.1016/j.jallcom.2010.06.005  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:1  AU: Chang, Mu-Li;Jeng, Ming-Shan;Chou, Ya-Wen;Ku, Jie-Ren;Chen, Bin-Hao;
19:1:182     Enhanced thermoelectric performance in graphitic ZnO (0001) nanofilms (vol 113, 083705, 2013)
DOI:10.1063/1.4798930  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Li, Yan-Li;Fan, Zheyong;Zheng, Jin-Cheng;
19:1:183     Thermoelectric Properties of Zr3Mn4Si6 and TiMnSi2
DOI:10.1007/s11664-009-1019-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:1  AU: Suzuki, Ryosuke O.;Kozasa, Hirotake;
19:1:184     Preparation and Thermoelectric Properties of LaGd1+xS3 and SmGd1+xS3
DOI:10.1007/s11664-010-1436-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:5  AU: Ohta, Michihiro;Hirai, Shinji;Kuzuya, Toshihiro;
19:1:185     Size-Dependent Lattice Thermal Conductivity of Nanostructured Bulk Semiconductors
DOI:10.1007/s11664-010-1467-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Yang, C. C.;Li, S.;
19:1:186     Structure and Thermoelectric Properties of Te- and Ge-Doped Skutterudites CoSb2.875-xGe0.125Tex
DOI:10.1007/s11664-011-1617-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:4  AU: Su, Xianli;Li, Han;Guo, Quansheng;Tang, Xinfeng;Zhang, Qingjie;Uher, Ctirad;
19:1:187     Calculation of the Thermoelectric Properties of n- and p-Type Lead Telluride Using a Three-Band Model of the Electron Energy Spectrum
DOI:10.1007/s11664-014-3031-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Dmitriev, A. V.;Tkacheva, E. S.;
19:1:188     Electronic structure of the thermoelectric materials PbTe and AgPb18SbTe20 from first-principles calculations
DOI:10.1557/JMR.2010.0145  JN:JOURNAL OF MATERIALS RESEARCH  PY:2010
  TC:2  AU: Lu, Pengxian;Shen, Zigang;Hu, Xing;
19:1:189     First Principles Explanation of the Positive Seebeck Coefficient of Lithium
DOI:10.1103/PhysRevLett.112.196603  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:1  AU: Xu, Bin;Verstraete, Matthieu J.;
19:1:190     Synthesis, SPS processing and low temperature transport properties of polycrystalline FeSb2 with nano-scale grains
DOI:10.1016/j.matlet.2014.02.054  JN:MATERIALS LETTERS  PY:2014
  TC:1  AU: Wei, Kaya;Martin, Joshua;Nolas, George S.;
19:2:1     Enhanced Thermoelectric Performance of Single-Walled Carbon Nanotubes/Polyaniline Hybrid Nanocomposites
DOI:10.1021/nn1002562  JN:ACS NANO  PY:2010
  TC:177  AU: Yao, Qin;Chen, Lidong;Zhang, Wenqing;Liufu, Shengcong;Chen, Xihong;
19:2:2     Improved Thermoelectric Behavior of Nanotube-Filled Polymer Composites with Poly(3,4-ethylenedioxythiophene) Poly(styrenesulfonate)
DOI:10.1021/nn9013577  JN:ACS NANO  PY:2010
  TC:173  AU: Kim, Dasaroyong;Kim, Yeonseok;Choi, Kyunwho;Grunlan, Jaime C.;Yu, Choongho;
19:2:3     Rational Design of Advanced Thermoelectric Materials
DOI:10.1002/aenm.201200514  JN:ADVANCED ENERGY MATERIALS  PY:2013
  TC:41  AU: Yang, Jihui;Yip, Hin-Lap;Jen, Alex K. -Y.;
19:2:4     Water-Processable Polymer-Nanocrystal Hybrids for Thermoelectrics
DOI:10.1021/nl102880k  JN:NANO LETTERS  PY:2010
  TC:121  AU: See, Kevin C.;Feser, Joseph P.;Chen, Cynthia E.;Majumdar, Arun;Urban, Jeffrey J.;Segalman, Rachel A.;
19:2:5     A Promising Approach to Enhanced Thermoelectric Properties Using Carbon Nanotube Networks
DOI:10.1002/adma.200902221  JN:ADVANCED MATERIALS  PY:2010
  TC:115  AU: Meng, Chuizhou;Liu, Changhong;Fan, Shoushan;
19:2:6     Heterostructured Approaches to Efficient Thermoelectric Materials
DOI:10.1021/cm402150j  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:14  AU: Zhang, Yichi;Stucky, Galen D.;
19:2:7     Organic Thermoelectric Materials: Emerging Green Energy Materials Converting Heat to Electricity Directly and Efficiently
DOI:10.1002/adma.201305371  JN:ADVANCED MATERIALS  PY:2014
  TC:26  AU: Zhang, Qian;Sun, Yimeng;Xu, Wei;Zhu, Daoben;
19:2:8     Promising Thermoelectric Properties of Commercial PEDOT:PSS Materials and Their Bi2Te3 Powder Composites
DOI:10.1021/am100654p  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2010
  TC:99  AU: Zhang, B.;Sun, J.;Katz, H. E.;Fang, F.;Opila, R. L.;
19:2:9     Light-Weight Flexible Carbon Nanotube Based Organic Composites with Large Thermoelectric Power Factors
DOI:10.1021/nn202868a  JN:ACS NANO  PY:2011
  TC:86  AU: Yu, Choongho;Choi, Kyungwho;Yin, Liang;Grunlan, Jaime C.;
19:2:10     Poly(3,4-ethylenedioxythiophene) as promising organic thermoelectric materials: A mini-review
DOI:10.1016/j.synthmet.2012.04.005  JN:SYNTHETIC METALS  PY:2012
  TC:64  AU: Yue, Ruirui;Xu, Jingkun;
19:2:11     Synthesis and thermoelectric properties of hydrochloric acid-doped polyaniline
DOI:10.1016/j.synthmet.2010.03.001  JN:SYNTHETIC METALS  PY:2010
  TC:65  AU: Li, Junjie;Tang, Xinfeng;Li, Han;Yan, Yonggao;Zhang, Qingjie;
19:2:12     Enhanced Thermoelectric Metrics in Ultra-long Electrodeposited PEDOT Nanowires
DOI:10.1021/nl103003d  JN:NANO LETTERS  PY:2011
  TC:50  AU: Taggart, David K.;Yang, Yongan;Kung, Sheng-Chin;McIntire, Theresa M.;Penner, Reginald M.;
19:2:13     Enhancement of the thermoelectric properties of PEDOT:PSS thin films by post-treatment
DOI:10.1039/c3ta11209h  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:35  AU: Luo, Jinji;Billep, Detlef;Waechtler, Thomas;Otto, Thomas;Toader, Marius;Gordan, Ovidiu;Sheremet, Evgeniya;Martin, Joerg;Hietschold, Michael;Zahnd, Dietrich R. T.;Gessner, Thomas;
19:2:14     Facile Preparation and Thermoelectric Properties of Bi2Te3 Based Alloy Nanosheet/PEDOT:PSS Composite Films
DOI:10.1021/am5002772  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:16  AU: Du, Yong;Cai, K. F.;Chen, Song;Cizek, Pavel;Lin, Tong;
19:2:15     Facile Fabrication of PEDOT:PSS/Polythiophenes Bilayered Nanofilms on Pure Organic Electrodes and Their Thermoelectric Performance
DOI:10.1021/am404183v  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2013
  TC:16  AU: Shi, Hui;Liu, Congcong;Xu, Jingkun;Song, Haijun;Lu, Baoyang;Jiang, Fengxing;Zhou, Weiqiang;Zhang, Ge;Jiang, Qinglin;
19:2:16     Facile Fabrication and Thermoelectric Properties of PbTe-Modified Poly(3,4-ethylenedioxythiophene) Nanotubes
DOI:10.1021/am101287w  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2011
  TC:39  AU: Wang, Yuanyuan;Cai, Kefeng;Yao, Xi;
19:2:17     Simultaneous increase in conductivity and Seebeck coefficient in a polyaniline/graphene nanosheets thermoelectric nanocomposite
DOI:10.1016/j.synthmet.2011.09.044  JN:SYNTHETIC METALS  PY:2012
  TC:37  AU: Du, Yong;Shen, Shirley Z.;Yang, Weidong;Donelson, Richard;Cai, Kefeng;Casey, Philip S.;
19:2:18     Organic Thermoelectric Materials and Devices Based on p- and n-Type Poly(metal 1,1,2,2-ethenetetrathiolate)s
DOI:10.1002/adma.201104305  JN:ADVANCED MATERIALS  PY:2012
  TC:58  AU: Sun, Yimeng;Sheng, Peng;Di, Chongan;Jiao, Fei;Xu, Wei;Qiu, Dong;Zhu, Daoben;
19:2:19     Temperature dependent thermopower and electrical conductivity of Te nanowire/poly(3,4-ethylenedioxythiophene):poly(4-styrene sulfonate) microribbons
DOI:10.1063/1.4893740  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:2  AU: Ma, S.;Anderson, K.;Guo, L.;Yousuf, A.;Ellingsworth, E. C.;Vajner, C.;Wang, H-T;Szulczewski, G.;
19:2:20     Templated growth of polyaniline on exfoliated graphene nanoplatelets (GNP) and its thermoelectric properties
DOI:10.1016/j.polymer.2012.07.029  JN:POLYMER  PY:2012
  TC:35  AU: Xiang, Jinglei;Drzal, Lawrence T.;
19:2:21     Thermoelectric Performance Enhancement of Poly(3,4-ethylenedioxythiophene):Poly(styrenesulfonate) Composite Films by Addition of Dimethyl Sulfoxide and Urea
DOI:10.1007/s11664-012-2162-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:14  AU: Kong, Fangfang;Liu, Congcong;Xu, Jingkun;Huang, Yao;Wang, Jianmin;Sun, Zhi;
19:2:22     Improved power factor of polyaniline nanocomposites with exfoliated graphene nanoplatelets (GNPs)
DOI:10.1039/c3ta12105d  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:20  AU: Abad, Begona;Alda, Irene;Diaz-Chao, Pablo;Kawakami, Hiroshi;Almarza, Albert;Amantia, David;Gutierrez, David;Aubouy, Laurent;Martin-Gonzalez, Marisol;
19:2:23     Transparent and flexible organic semiconductor nanofilms with enhanced thermoelectric efficiency
DOI:10.1039/c4ta00700j  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:21  AU: Lee, Seung Hwan;Park, Hongkwan;Kim, Soyeon;Son, Woohyun;Cheong, In Woo;Kim, Jung Hyun;
19:2:24     Organic Semiconductors for Thermoelectric Applications
DOI:10.1007/s11664-010-1271-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:39  AU: Scholdt, Manfred;Do, Hung;Lang, Johannes;Gall, Andre;Colsmann, Alexander;Lemmer, Uli;Koenig, Jan D.;Winkler, Markus;Boettner, Harald;
19:2:25     Thermoelectric properties of graphene nanosheets-modified polyaniline hybrid nanocomposites by an in situ chemical polymerization
DOI:10.1016/j.matchemphys.2012.11.052  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2013
  TC:21  AU: Lu, Yan;Song, Ying;Wang, Fuping;
19:2:26     Superlow Thermal Conductivity 3D Carbon Nanotube Network for Thermoelectric Applications
DOI:10.1021/am201330f  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2012
  TC:25  AU: Chen, Jikun;Gui, Xuchun;Wang, Zewei;Li, Zhen;Xiang, Rong;Wang, Kunlin;Wu, Dehai;Xia, Xugui;Zhou, Yanfei;Wang, Qun;Tang, Zikang;Chen, Lidong;
19:2:27     Side-Chain Effects on the Conductivity, Morphology, and Thermoelectric Properties of Self-Doped Narrow-Band-Gap Conjugated Polyelectrolytes
DOI:10.1021/ja504284r  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:2  AU: Mai, Cheng-Kang;Schlitz, Ruth A.;Su, Gregory M.;Spitzer, Daniel;Wang, Xiaojia;Fronk, Stephanie L.;Cahill, David G.;Chabinyc, Michael L.;Bazan, Guillermo C.;
19:2:28     Enhanced thermoelectric properties of CNT/PANI composite nanofibers by highly orienting the arrangement of polymer chains
DOI:10.1039/c2jm32750c  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:38  AU: Wang, Qun;Yao, Qin;Chang, Jiang;Chen, Lidong;
19:2:29     Effect of Interfacial Properties on Polymer-Nanocrystal Thermoelectric Transport
DOI:10.1002/adma.201203915  JN:ADVANCED MATERIALS  PY:2013
  TC:27  AU: Coates, Nelson E.;Yee, Shannon K.;McCulloch, Bryan;See, Kevin C.;Majumdar, Arun;Segalman, Rachel A.;Urban, Jeffrey J.;
19:2:30     Simultaneous Increases in Electrical Conductivity and Seebeck Coefficient of PEDOT:PSS Films by Adding Ionic Liquids into a Polymer Solution
DOI:10.1007/s11664-012-1942-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:24  AU: Liu, Congcong;Xu, Jingkun;Lu, Baoyang;Yue, Ruirui;Kong, Fangfang;
19:2:31     Thermoelectric behaviour of melt processed carbon nanotube/graphite/poly(lactic acid) conductive biopolymer nanocomposites (CPC)
DOI:10.1016/j.matlet.2011.09.060  JN:MATERIALS LETTERS  PY:2012
  TC:30  AU: Antar, Z.;Feller, J. F.;Noel, H.;Glouannec, P.;Elleuch, K.;
19:2:32     Influence of a cyclic butylene terephthalate oligomer on the processability and thermoelectric properties of polycarbonate/MWCNT nanocomposites
DOI:10.1016/j.polymer.2014.08.048  JN:POLYMER  PY:2014
  TC:2  AU: Tzounis, Lazaros;Gaertner, Titus;Liebscher, Marco;Poetschke, Petra;Stamm, Manfred;Voit, Brigitte;Heinrich, Gert;
19:2:33     Thermoelectric properties of conducting polymers: The case of poly(3-hexylthiophene)
DOI:10.1103/PhysRevB.82.115454  JN:PHYSICAL REVIEW B  PY:2010
  TC:29  AU: Xuan, Y.;Liu, X.;Desbief, S.;Leclere, P.;Fahlman, M.;Lazzaroni, R.;Berggren, M.;Cornil, J.;Emin, D.;Crispin, X.;
19:2:34     Chemical post-treatment and thermoelectric properties of poly(3,4-ethylenedioxylthiophene):poly(styrenesulfonate) thin films
DOI:10.1063/1.4864749  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:6  AU: Luo, Jinji;Billep, Detlef;Blaudeck, Thomas;Sheremet, Evgeniya;Rodriguez, Raul D.;Zahn, Dietrich R. T.;Toader, Marius;Hietschold, Michael;Otto, Thomas;Gessner, Thomas;
19:2:35     Convenient construction of poly(3,4-ethylenedioxythiophene)-graphene pie-like structure with enhanced thermoelectric performance
DOI:10.1039/c3ta12691a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:33  AU: Xu, Kongli;Chen, Guangming;Qiu, Dong;
19:2:36     In situ fabrication and thermoelectric properties of PbTe-polyaniline composite nanostructures
DOI:10.1007/s11051-010-0043-y  JN:JOURNAL OF NANOPARTICLE RESEARCH  PY:2011
  TC:32  AU: Wang, Y. Y.;Cai, K. F.;Yin, J. L.;An, B. J.;Du, Y.;Yao, X.;
19:2:37     Transport and thermoelectric properties of polyaniline/reduced graphene oxide nanocomposites
DOI:10.1088/0957-4484/25/47/475705  JN:NANOTECHNOLOGY  PY:2014
  TC:4  AU: Islam, Rakibul;Chan-Yu-King, Roch;Brun, Jean-Francois;Gors, Carole;Addad, Ahmed;Depriester, Michael;Hadj-Sahraoui, Abdelhak;Roussel, Frederick;
19:2:38     Multilayered Carbon Nanotube/Polymer Composite Based Thermoelectric Fabrics
DOI:10.1021/nl203806q  JN:NANO LETTERS  PY:2012
  TC:68  AU: Hewitt, Corey A.;Kaiser, Alan B.;Roth, Siegmar;Craps, Matt;Czerw, Richard;Carroll, David L.;
19:2:39     Highly conducting free-standing poly(3,4-ethylenedioxythiophene)/poly(styrenesulfonate) films with improved thermoelectric performances
DOI:10.1016/j.synthmet.2010.09.031  JN:SYNTHETIC METALS  PY:2010
  TC:29  AU: Liu, Congcong;Lu, Baoyang;Yan, Jun;Xu, Jingkun;Yue, Ruirui;Zhu, Zhaojin;Zhou, Shuyun;Hu, Xiujie;Zhang, Zhuo;Chen, Ping;
19:2:40     Preparation and characterization of graphene nanosheets/poly(3-hexylthiophene) thermoelectric composite materials
DOI:10.1016/j.synthmet.2012.09.011  JN:SYNTHETIC METALS  PY:2012
  TC:13  AU: Du, Y.;Cai, K. F.;Shen, S. Z.;Casey, P. S.;
19:2:41     Carbon nanotube-polyaniline nanohybrids: Influence of the carbon nanotube characteristics on the morphological, spectroscopic, electrical and thermoelectric properties
DOI:10.1016/j.synthmet.2012.05.029  JN:SYNTHETIC METALS  PY:2012
  TC:19  AU: King, Roch Chan Yu;Roussel, Frederick;Brun, Jean-Francois;Gors, Carole;
19:2:42     Search for Organic Thermoelectric Materials with High Mobility: The Case of 2,7-Dialkyl[1]benzothieno[3,2-b][1]benzothiophene Derivatives
DOI:10.1021/cm500429w  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:9  AU: Shi, Wen;Chen, Jianming;Xi, Jinyang;Wang, Dong;Shuai, Zhigang;
19:2:43     Enhanced Thermoelectric Properties of BiCuSeO/Polyaniline Composites
DOI:10.1007/s11664-014-3294-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Zheng, Bin;Liu, Yaochun;Zhan, Bin;Lin, Yuanhua;Lan, Jinle;Yang, Xiaoping;
19:2:44     Large thermoelectric power factor in polyaniline/graphene nanocomposite films prepared by solution-assistant dispersing method
DOI:10.1039/c4ta01541j  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:11  AU: Wang, Liming;Yao, Qin;Bi, Hui;Huang, Fuqiang;Wang, Qun;Chen, Lidong;
19:2:45     Improvement of the Seebeck coefficient of PEDOT:PSS by chemical reduction combined with a novel method for its transfer using free-standing thin films
DOI:10.1039/c3tc31674b  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2014
  TC:20  AU: Massonnet, Nicolas;Carella, Alexandre;Jaudouin, Olivier;Rannou, Patrice;Laval, Gautier;Celle, Caroline;Simonato, Jean-Pierre;
19:2:46     Synthesis, characterization and enhanced thermoelectric performance of structurally ordered cable-like novel polyaniline-bismuth telluride nanocomposite
DOI:10.1088/0957-4484/24/21/215703  JN:NANOTECHNOLOGY  PY:2013
  TC:9  AU: Chatterjee, Krishanu;Mitra, Mousumi;Kargupta, Kajari;Ganguly, Saibal;Banerjee, Dipali;
19:2:47     Tuning the Thermoelectric Properties of Conducting Polymers in an Electrochemical Transistor
DOI:10.1021/ja305188r  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:28  AU: Bubnova, Olga;Berggren, Magnus;Crispin, Xavier;
19:2:48     Organic Thermoelectric Materials Composed of Conducting Polymers and Metal Nanoparticles
DOI:10.1007/s11664-012-2041-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:13  AU: Toshima, Naoki;Jiravanichanun, Nattha;Marutani, Hiromasa;
19:2:49     Synthesis of Polythiophene/Poly(3,4-ethylenedioxythiophene) Nanocomposites and Their Application in Thermoelectric Devices
DOI:10.1007/s11664-014-3287-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Lee, Seung Hwan;Kim, Yong Seok;Kim, Jung Hyun;
19:2:50     Dramatic electrical conductivity improvement of carbon nanotube networks by simultaneous de-bundling and hole-doping with chlorosulfonic acid
DOI:10.1039/c2jm16000e  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:22  AU: Ryu, Yeontack;Yin, Liang;Yu, Choongho;
19:2:51     Novel solution-processable, dedoped semiconductors for application in thermoelectric devices
DOI:10.1039/c4ta01839g  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:10  AU: Lee, Seung Hwan;Park, Hongkwan;Son, Woohyun;Choi, Hyang Hee;Kim, Jung Hyun;
19:2:52     Enhanced thermoelectric properties of PEDOT: PSS nanofilms by a chemical dedoping process
DOI:10.1039/c3ta14960a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:25  AU: Park, Hongkwan;Lee, Seung Hwan;Kim, Felix Sunjoo;Choi, Hyang Hee;Cheong, In Woo;Kim, Jung Hyun;
19:2:53     Enhanced thermoelectric properties in polyaniline composites with polyaniline-coated carbon nanotubes
DOI:10.1007/s10853-013-7804-9  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:8  AU: Yan, Haiyan;Kou, Kaichang;
19:2:54     Thermoelectric properties of conducting polyaniline/graphite composites
DOI:10.1016/j.matlet.2011.01.014  JN:MATERIALS LETTERS  PY:2011
  TC:30  AU: Wang, Lei;Wang, Dagang;Zhu, Guangming;Li, Junqin;Pan, Fred;
19:2:55     Thermoelectric response of carbon nanotube films to Au-nanoparticle incorporation
DOI:10.1016/j.materresbull.2013.04.033  JN:MATERIALS RESEARCH BULLETIN  PY:2013
  TC:3  AU: Fernandes, Gustavo E.;Kim, Jin Ho;Xu, Jimmy;
19:2:56     ORGANIC THERMOELECTRICS Green energy from a blue polymer
DOI:10.1038/nmat3032  JN:NATURE MATERIALS  PY:2011
  TC:27  AU: Leclerc, Mario;Najari, Ahmed;
19:2:57     A three-in-one improvement in thermoelectric properties of polyaniline brought by nanostructures
DOI:10.1016/j.synthmet.2010.09.014  JN:SYNTHETIC METALS  PY:2010
  TC:24  AU: Sun, Yirneng;Wei, Zhongming;Xu, Wei;Zhu, Daoben;
19:2:58     Preparation and thermoelectric properties of reduced graphene oxide/PEDOT:PSS composite films
DOI:10.1016/j.synthmet.2014.08.014  JN:SYNTHETIC METALS  PY:2014
  TC:3  AU: Li, Fengyuan;Cai, Kefeng;Shen, Shirley;Chen, Song;
19:2:59     Solubility-Limited Extrinsic n-Type Doping of a High Electron Mobility Polymer for Thermoelectric Applications
DOI:10.1002/adma.201304866  JN:ADVANCED MATERIALS  PY:2014
  TC:18  AU: Schlitz, Ruth A.;Brunetti, Fulvio G.;Glaudell, Anne M.;Miller, P. Levi;Brady, Michael A.;Takacs, Christopher J.;Hawker, Craig J.;Chabinyc, Michael L.;
19:2:60     Varying the concentration of single walled carbon nanotubes in thin film polymer composites, and its effect on thermoelectric power
DOI:10.1063/1.3580761  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:20  AU: Hewitt, C. A.;Kaiser, A. B.;Roth, S.;Craps, M.;Czerw, R.;Carroll, D. L.;
19:2:61     Thermoelectric properties of porous multi-walled carbon nanotube/polyaniline core/shell nanocomposites
DOI:10.1088/0957-4484/23/38/385701  JN:NANOTECHNOLOGY  PY:2012
  TC:19  AU: Zhang, Kun;Davis, Marauo;Qiu, Jingjing;Hope-Weeks, Louisa;Wang, Shiren;
19:2:62     Preparation and characterization of multiwalled carbon nanotube/poly(3-hexylthiophene) thermoelectric composite materials
DOI:10.1016/j.synthmet.2011.12.023  JN:SYNTHETIC METALS  PY:2012
  TC:21  AU: Du, Y.;Shen, S. Z.;Yang, W. D.;Cai, K. F.;Casey, P. S.;
19:2:63     Modulating Electronic Transport Properties of Carbon Nanotubes To Improve the Thermoelectric Power Factor via Nanoparticle Decoration
DOI:10.1021/nn102999h  JN:ACS NANO  PY:2011
  TC:29  AU: Yu, Choongho;Ryu, Yeontack;Yin, Liang;Yang, Hongjoo;
19:2:64     One-pot fabrication and thermoelectric properties of Ag2Te-polyaniline core-shell nanostructures
DOI:10.1016/j.matchemphys.2012.01.098  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2012
  TC:11  AU: Wang, Y. Y.;Cai, K. F.;Yin, J. L.;Du, Y.;Yao, X.;
19:2:65     n-Type Carbon Nanotubes/Silver Telluride Nanohybrid Buckypaper with a High-Thermoelectric Figure of Merit
DOI:10.1021/am4059167  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:5  AU: Zhao, Weiyun;Tan, Hui Teng;Tan, Li Ping;Fan, Shufen;Hng, Huey Hoon;Boey, Yin Chiang Freddy;Beloborodov, Igor;Yan, Qingyu;
19:2:66     Influence of the MWCNT surface functionalization on the thermoelectric properties of melt-mixed polycarbonate composites
DOI:10.1016/j.compscitech.2014.07.009  JN:COMPOSITES SCIENCE AND TECHNOLOGY  PY:2014
  TC:6  AU: Liebscher, Marco;Gaertner, Titus;Tzounis, Lazaros;Micusik, Matej;Poetschke, Petra;Stamm, Manfred;Heinrich, Gert;Voit, Brigitte;
19:2:67     Facile Preparation and Characterization of Poly (3-hexylthiophene)/Multiwalled Carbon Nanotube Thermoelectric Composite Films
DOI:10.1007/s11664-012-1931-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:8  AU: Du, Y.;Shen, S. Z.;Yang, W. D.;Chen, S.;Qin, Z.;Cai, K. F.;Casey, P. S.;
19:2:68     Improved Thermoelectric Performance of Free-Standing PEDOT:PSS/Bi2Te3 Films with Low Thermal Conductivity
DOI:10.1007/s11664-013-2587-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:19  AU: Song, Haijun;Liu, Congcong;Zhu, Hongfei;Kong, Fangfang;Lu, Baoyang;Xu, Jingkun;Wang, Jianmin;Zhao, Feng;
19:2:69     One-pot fabrication and enhanced thermoelectric properties of poly(3,4-ethylenedioxythiophene)-Bi2S3 nanocomposites
DOI:10.1007/s11051-012-0848-y  JN:JOURNAL OF NANOPARTICLE RESEARCH  PY:2012
  TC:10  AU: Wang, Yuan Yuan;Cai, Ke Feng;Yao, Xi;
19:2:70     Bulk Interpenetration Network of Thermoelectric Polymer in Insulating Supporting Matrix
DOI:10.1002/adma.201305320  JN:ADVANCED MATERIALS  PY:2014
  TC:9  AU: Lu, Guanghao;Bu, Laju;Li, Sijun;Yang, Xiaoniu;
19:2:71     New device architecture of a thermoelectric energy conversion for recovering low-quality heat
DOI:10.1007/s00339-013-7844-7  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2014
  TC:4  AU: Kim, Hoon;Park, Sung-Geun;Jung, Buyoung;Hwang, Junphil;Kim, Woochul;
19:2:72     Improved thermoelectric performance of organic thin-film elements utilizing a bilayer structure of pentacene and 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F-4-TCNQ)
DOI:10.1063/1.3456394  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:27  AU: Harada, Kentaro;Sumino, Mao;Adachi, Chihaya;Tanaka, Saburo;Miyazaki, Koji;
19:2:73     Flexible and lightweight thermoelectric generators composed of carbon nanotube-polystyrene composites printed on film substrate
DOI:10.1063/1.4824648  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:6  AU: Suemori, Kouji;Hoshino, Satoshi;Kamata, Toshihide;
19:2:74     Free-Standing PEDOT-PSS/Ca3Co4O9 Composite Films as Novel Thermoelectric Materials
DOI:10.1007/s11664-010-1465-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:20  AU: Liu, Congcong;Jiang, Fengxing;Huang, Mingyu;Lu, Baoyang;Yue, Ruirui;Xu, Jingkun;
19:2:75     Thermoelectric Properties of Tetrathiotetracene Iodide Crystals: Modeling and Experiment
DOI:10.1007/s11664-014-3105-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Casian, Anatolie;Sanduleac, Ionel;
19:2:76     Preparation and thermoelectric properties of multi-walled carbon nanotube/polyaniline hybrid nanocomposites
DOI:10.1039/c3ta12353g  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:10  AU: Zhang, Qingli;Wang, Weijie;Li, Jianlin;Zhu, Juanjuan;Wang, Lianjun;Zhu, Meifang;Jiang, Wan;
19:2:77     The synergic regulation of conductivity and Seebeck coefficient in pure polyaniline by chemically changing the ordered degree of molecular chains
DOI:10.1039/c3ta14008c  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:10  AU: Yao, Qin;Wang, Qun;Wang, Liming;Wang, Yan;Sun, Jing;Zeng, Huarong;Jin, Zhiyue;Huang, Xianliang;Chen, Lidong;
19:2:78     Enhanced thermoelectric performance of PEDOT with different counter-ions optimized by chemical reduction
DOI:10.1039/c4ta01012d  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:20  AU: Culebras, M.;Gomez, C. M.;Cantarero, A.;
19:2:79     Preparation and thermoelectric properties of multi-walled carbon nanotubes/polypyrrole composites
DOI:10.1016/j.synthmet.2014.06.003  JN:SYNTHETIC METALS  PY:2014
  TC:11  AU: Wang, Jiao;Cai, Kefeng;Shen, Shirley;Yin, Junlin;
19:2:80     Thermoelectric model to characterize carrier transport in organic semiconductors
DOI:10.1103/PhysRevB.86.085208  JN:PHYSICAL REVIEW B  PY:2012
  TC:6  AU: Kim, Gunho;Pipe, Kevin P.;
19:2:81     Gold Nanoparticle and Gold Nanorod Embedded PEDOT:PSS Thin Films as Organic Thermoelectric Materials
DOI:10.1007/s11664-013-2745-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:5  AU: Yoshida, Akihito;Toshima, Naoki;
19:2:82     N-type doping and thermoelectric properties of co-sublimed cesium-carbonate-doped fullerene
DOI:10.1007/s10853-012-6824-1  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:4  AU: Barbot, A.;Di Bin, C.;Lucas, B.;Ratier, B.;Aldissi, M.;
19:2:83     Enhancing the Thermoelectric Figure of Merit by Low-Dimensional Electrical Transport in Phonon-Glass Crystals
DOI:10.1021/acs.nanolett.5b01491  JN:NANO LETTERS  PY:2015
  TC:0  AU: Mi, Xue-Ya;Yu, Xiaoxiang;Yao, Kai-Lun;Huang, Xiaoming;Yang, Nuo;Lu, Jing-Tao;
19:2:84     Electrical and thermal properties of PEDOT:PSS films doped with carbon nanotubes
DOI:10.1016/j.synthmet.2011.01.006  JN:SYNTHETIC METALS  PY:2011
  TC:23  AU: Park, Jongwoon;Lee, Ari;Yim, Younchan;Han, Eunmi;
19:2:85     Preparation and thermoelectric properties of polythiophene/multiwalled carbon nanotube composites
DOI:10.1016/j.synthmet.2013.08.011  JN:SYNTHETIC METALS  PY:2013
  TC:9  AU: Wang, Lei;Jia, Xiaole;Wang, Dagang;Zhu, Guangming;Li, Junqin;
19:2:86     Enhanced thermoelectric properties of germanium powder/poly(3,4-ethylenedioxythiophene):poly(4-styrenesulfonate) composites
DOI:10.1016/j.tsf.2014.07.011  JN:THIN SOLID FILMS  PY:2014
  TC:2  AU: Park, Gyeong Ock;Roh, Jong Wook;Kim, Jeongmin;Lee, Kang Yeol;Jang, Byungjin;Lee, Kyu Hyoung;Lee, Wooyoung;
19:2:87     High Seebeck effects from conducting polymer: Poly(3,4-ethylenedioxythiophene): poly(styrenesulfonate) based thin-film device with hybrid metal/polymer/metal architecture
DOI:10.1063/1.4761954  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:6  AU: Stanford, Michael;Wang, Hsin;Ivanov, Ilia;Hu, Bin;
19:2:88     Low thermal conductivity and high thermoelectric figure of merit in p-type Sb2Te3/poly(3,4-ethylenedioxythiophene) thermoelectric composites
DOI:10.1063/1.4887504  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Zheng, Wenwen;Bi, Peng;Kang, Haochen;Wei, Wei;Liu, Fengming;Shi, Jing;Peng, Luxi;Wang, Ziyu;Xiong, Rui;
19:2:89     In Situ Polymerization of 3-Hexylthiophene with Double-Walled Carbon Nanotubes: Studies on the Conductive Nanocomposite
DOI:10.1002/app.29894  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2010
  TC:20  AU: Koizhaiganova, Raushan;Kim, Hee Jin;Vasudevan, T.;Kudaibergenov, Sarkyt;Lee, Mu Sang;
19:2:90     Thermoelectric Properties and Thermal Stability of PEDOT:PSS Films on a Polyimide Substrate and Application in Flexible Energy Conversion Devices
DOI:10.1007/s11664-014-3003-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:10  AU: Hokazono, Masahiro;Anno, Hiroaki;Toshima, Naoki;
19:2:91     Thermoelectric measurements of PEDOT:PSS/expanded graphite composites
DOI:10.1007/s10853-012-6846-8  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:8  AU: Culebras, Mario;Gomez, Clara M.;Cantarero, Andres;
19:2:92     Thermoelectric Properties of Carbon Nanotube and Nanofiber Based Ethylene-Octene Copolymer Composites for Thermoelectric Devices
DOI:10.1155/2013/792875  JN:JOURNAL OF NANOMATERIALS  PY:2013
  TC:2  AU: Slobodian, P.;Riha, P.;Olejnik, R.;Kovar, M.;Svoboda, P.;
19:2:93     Effects of structural order in the pristine state on the thermoelectric power-factor of doped PBTTT films
DOI:10.1016/j.synthmet.2012.03.003  JN:SYNTHETIC METALS  PY:2012
  TC:7  AU: Zhang, Qian;Sun, Yimeng;Jiao, Fei;Zhang, Jing;Xu, Wei;Zhu, Daoben;
19:2:94     Flexible Power Fabrics Made of Carbon Nanotubes for Harvesting Thermoelectricity
DOI:10.1021/nn405893t  JN:ACS NANO  PY:2014
  TC:13  AU: Kim, Suk Lae;Choi, Kyungwho;Tazebay, Abdullah;Yu, Choongho;
19:2:95     Thermoelectric properties of n-type C-60 thin films and their application in organic thermovoltaic devices
DOI:10.1063/1.3631633  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:10  AU: Sumino, Mao;Harada, Kentaro;Ikeda, Masaaki;Tanaka, Saburo;Miyazaki, Koji;Adachi, Chihaya;
19:2:96     Fabrication of Bismuth Telluride Thermoelectric Films Containing Conductive Polymers Using a Printing Method
DOI:10.1007/s11664-012-2420-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Kato, Kunihisa;Hagino, Harutoshi;Miyazaki, Koji;
19:2:97     Improvement of Thermoelectric Properties of PEDOT/PSS Films by Addition of Gold Nanoparticles: Enhancement of Seebeck Coefficient
DOI:10.1007/s11664-012-2458-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:9  AU: Toshima, Naoki;Jiravanichanun, Nattha;
19:2:98     Thermoelectric Enhancement in Polyaniline Composites with Polypyrrole-Functionalized Multiwall Carbon Nanotubes
DOI:10.1007/s11664-013-2958-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Liu, Jie;Yu, Hui-Qun;
19:2:99     Fabrication of PEDOT nanowhiskers for electrical connection of the hemoglobin active center for H2O2 electrochemical biosensing
DOI:10.1039/c3tb20513d  JN:JOURNAL OF MATERIALS CHEMISTRY B  PY:2013
  TC:9  AU: Chen, Yun;Gai, Panpan;Jin, Li;Zhu, Dong;Tian, Danbi;Abdel-Halim, E. S.;Zhang, Jianrong;Zhu, Jun-Jie;
19:2:100     Controlling morphology and charge transfer in ZnO/polythiophene photovoltaic films
DOI:10.1039/c3tc32246g  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2014
  TC:1  AU: Nahor, Oded;Segal-Peretz, Tamar;Neeman, Lior;Oron, Dan;Frey, Gitti L.;
19:2:101     Facile charge carrier adjustment for improving thermopower of doped polyaniline
DOI:10.1016/j.polymer.2012.12.038  JN:POLYMER  PY:2013
  TC:5  AU: Wang, Hong;Yin, Liang;Pu, Xiong;Yu, Choongho;
19:2:102     Thermoelectric property of attapulgite/TiO2/polyaniline nanocomposites doped with sulfosalicylic acid
DOI:10.1016/j.scriptamat.2013.02.045  JN:SCRIPTA MATERIALIA  PY:2013
  TC:2  AU: Ding, Hongyan;Zhou, Guanghong;Zhu, Yufu;Zhang, Yue;Feng, Liangdong;
19:2:103     Thermoelectric performances of different types of polyselenophene and its copolymers with 3-methylthiophene via electropolymerization
DOI:10.1016/j.synthmet.2013.09.013  JN:SYNTHETIC METALS  PY:2013
  TC:4  AU: Lu, Baoyang;Chen, Shuai;Xu, Jingkun;Zhao, Guoqun;
19:2:104     Thermoelectric and bulk mobility measurements in pentacene thin films
DOI:10.1063/1.3556622  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:11  AU: Kim, G. -H.;Shtein, M.;Pipe, K. P.;
19:2:105     Fabrication of iodine-doped pentacene thin films for organic thermoelectric devices
DOI:10.1063/1.3537831  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:8  AU: Hayashi, K.;Shinano, T.;Miyazaki, Y.;Kajitani, T.;
19:2:106     Thermoelectric Performance of Poly(3,4-Ethylenedioxy-thiophene)/Poly(Styrenesulfonate) Pellets and Films
DOI:10.1007/s11664-010-1494-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:21  AU: Liu, Congcong;Jiang, Fengxing;Huang, Mingyu;Yue, Ruirui;Lu, Baoyang;Xu, Jingkun;Liu, Guodong;
19:2:107     Organic-Inorganic Nanohybrids as Novel Thermoelectric Materials: Hybrids of Polyaniline and Bismuth(III) Telluride Nanoparticles
DOI:10.1007/s11664-010-1403-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:16  AU: Toshima, Naoki;Imai, Masahiro;Ichikawa, Shoko;
19:2:108     Thermal Conductivity and ZT in Disordered Organic Thermoelectrics
DOI:10.1007/s11664-012-2374-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:5  AU: Kwok, H. L.;
19:2:109     Macroporous conductive polymer films fabricated by electrospun nanofiber templates and their electromechanical properties
DOI:10.1088/0957-4484/22/27/275501  JN:NANOTECHNOLOGY  PY:2011
  TC:11  AU: Zhou, Jian;Gao, Qiang;Fukawa, Tadashi;Shirai, Hirofusa;Kimura, Mutsumi;
19:2:110     Enhanced thermoelectric power in nanopatterned carbon nanotube film
DOI:10.1088/0957-4484/23/13/135704  JN:NANOTECHNOLOGY  PY:2012
  TC:4  AU: Jung, Seungwoo;Kim, Ki-Bum;Fernandes, Gustavo;Kim, Jin Ho;Wahab, Fazal;Xu, Jimmy;
19:2:111     Enhanced thermoelectric properties of the flexible tellurium nanowire film hybridized with single-walled carbon nanotube
DOI:10.1016/j.synthmet.2014.10.037  JN:SYNTHETIC METALS  PY:2014
  TC:2  AU: Choi, Jaeyoo;Lee, Jang Yeol;Lee, Hyunjung;Park, Chong Rae;Kim, Heesuk;
19:2:112     High Seebeck Effects from Hybrid Metal/Polymer/Metal Thin-Film Devices
DOI:10.1002/adma.201101634  JN:ADVANCED MATERIALS  PY:2011
  TC:15  AU: Yan, Liang;Shao, Ming;Wang, Hsin;Dudis, Douglas;Urbas, Augustine;Hu, Bin;
19:2:113     Phonon transport in an initially twisted polyvinyl acetate nanofiber
DOI:10.1063/1.4804428  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Liangruksa, Monrudee;Puri, Ishwar K.;
19:2:114     Terahertz and infrared transmission of an organic/inorganic hybrid thermoelectric material
DOI:10.1063/1.4871316  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Heyman, J. N.;Alebachew, B. A.;Kaminski, Z. S.;Nguyen, M. D.;Coates, N. E.;Urban, J. J.;
19:2:115     Synthesis and characterization of Bi2Te3/polyaniline composites
DOI:10.1016/j.mssp.2011.02.019  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2011
  TC:9  AU: Li, Yong;Zhao, Qing;Wang, Yin-gang;Bi, Ke;
19:2:116     Engineered doping of organic semiconductors for enhanced thermoelectric efficiency
DOI:10.1038/NMAT3635  JN:NATURE MATERIALS  PY:2013
  TC:133  AU: Kim, G-H.;Shao, L.;Zhang, K.;Pipe, K. P.;
19:2:117     Extrinsic properties affecting the thermoelectric power output of few layer graphene/polyvinylidene fluoride composite thin films
DOI:10.1016/j.synthmet.2012.12.003  JN:SYNTHETIC METALS  PY:2012
  TC:7  AU: Hewitt, C. A.;Carroll, D. L.;
19:2:118     A novel electrochemical biosensing platform based on poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) composites
DOI:10.1016/j.synthmet.2012.03.004  JN:SYNTHETIC METALS  PY:2012
  TC:13  AU: Wen, Yangping;Xu, Jingkun;Li, Dong;Liu, Ming;Kong, Fangfang;He, Haohua;
19:2:119     The effects of high energy probe sonication on the thermoelectric power of large diameter multiwalled carbon nanotubes synthesized by chemical vapor deposition
DOI:10.1016/j.synthmet.2013.09.026  JN:SYNTHETIC METALS  PY:2013
  TC:3  AU: Hewitt, Corey A.;Craps, Matt;Czerw, Richard;Carroll, David L.;
19:2:120     Effects of a proton scavenger on the thermoelectric performance of free-standing polythiophene and its derivative films
DOI:10.1016/j.synthmet.2013.08.006  JN:SYNTHETIC METALS  PY:2013
  TC:6  AU: Hu, Yongjing;Shi, Hui;Song, Haijun;Liu, Congcong;Xu, Jingkun;Zhang, Long;Jiang, Qinglin;
19:2:121     Temperature dependent thermoelectric properties of freestanding few layer graphene/polyvinylidene fluoride composite thin films
DOI:10.1016/j.synthmet.2013.01.009  JN:SYNTHETIC METALS  PY:2013
  TC:7  AU: Hewitt, Corey A.;Kaiser, Alan B.;Craps, Matt;Czerw, Richard;Roth, Siegmar;Carroll, David L.;
19:2:122     Investigating thermoelectric properties of doped polyaniline nanowires
DOI:10.1016/j.synthmet.2014.01.007  JN:SYNTHETIC METALS  PY:2014
  TC:10  AU: Wu, Jiansheng;Sun, Yimeng;Xu, Wei;Zhang, Qichun;
19:2:123     Thermoelectric Performance of Poly(3-hexylthiophene) Films Doped by Iodine Vapor with Promising High Seebeck Coefficient
DOI:10.1007/s13391-013-3150-y  JN:ELECTRONIC MATERIALS LETTERS  PY:2014
  TC:2  AU: Zhu, Hongfei;Liu, Congcong;Song, Haijun;Xu, Jingkun;Kong, Fangfang;Wang, Jianmin;
19:2:124     Negative thermoelectric power from large diameter multiwalled carbon nanotubes grown at high chemical vapor deposition temperatures
DOI:10.1063/1.4819104  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Hewitt, Corey A.;Kaiser, Alan B.;Craps, Matt;Czerw, Richard;Carroll, David L.;
19:2:125     Improved thermoelectric power output from multilayered polyethylenimine doped carbon nanotube based organic composites
DOI:10.1063/1.4874375  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Hewitt, Corey A.;Montgomery, David S.;Barbalace, Ryan L.;Carlson, Rowland D.;Carroll, David L.;
19:2:126     Thermoelectric Performance of Electrodeposited Nanostructured Polyaniline Doped with Sulfo-Salicylic Acid
DOI:10.1002/app.39920  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2014
  TC:1  AU: Chatterjee, Krishanu;Mitra, Mousumi;Ganguly, Saibal;Kargupta, Kajari;Banerjee, Dipali;
19:2:127     Synthesis and Characterization of Polythiophene/Bi2Te3 Nanocomposite Thermoelectric Material
DOI:10.1007/s11664-011-1664-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:6  AU: Ao, W. Q.;Wang, L.;Li, J. Q.;Pan, Fred;Wu, C. N.;
19:2:128     Effect ofa Lorenz pound Number Decrease ona Thermoelectric pound Efficiency ina Quasi-One-Dimensional pound Organic Crystals
DOI:10.1007/s11664-013-2555-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Casian, A.;Dusciac, V.;
19:2:129     Fabrication of cross-linked carbon nanotube foam using polymethylmethacrylate microspheres as templates
DOI:10.1039/c3ta13065g  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:1  AU: Cui, Yanbin;Zhang, Mei;
19:2:130     One-step interfacial synthesis and thermoelectric properties of Ag/Cu-poly(3,4-ethylenedioxythiophene) nanostructured composites
DOI:10.1007/s11051-014-2531-y  JN:JOURNAL OF NANOPARTICLE RESEARCH  PY:2014
  TC:2  AU: Wang, Yuanyuan;Cai, Kefeng;Chen, Song;Shen, Shirley;Yao, Xi;
19:2:131     Enhanced Thermoelectric Metrics in Ultra-long Electrodeposited PEDOT Nanowires (vol 11, pg 125, 2011)
DOI:10.1021/n1201142j  JN:NANO LETTERS  PY:2011
  TC:5  AU: Taggart, David K.;Yang, Yongan;Kung, Sheng-Chin;McIntire, Theresa M.;Penner, Reginald M.;
19:2:132     Measurement of Thermal Conductivity of PbTe Nanocrystal Coated Glass Fibers by the 3 omega Method
DOI:10.1021/nl400558u  JN:NANO LETTERS  PY:2013
  TC:3  AU: Finefrock, Scott W.;Wang, Yan;Ferguson, John B.;Ward, James V.;Fang, Haiyu;Pfluger, Jonathan E.;Dudis, Douglas S.;Ruan, Xiulin;Wu, Yue;
19:2:133     Bismuth nitrate doped polyaniline - Characterization and properties for thermoelectric application
DOI:10.1016/j.synthmet.2010.11.034  JN:SYNTHETIC METALS  PY:2011
  TC:9  AU: Chatterjee, Krishanu;Ganguly, Saibal;Kargupta, Kajari;Banerjee, Dipali;
19:2:134     Polypyrrole nanotube film for flexible thermoelectric application
DOI:10.1016/j.synthmet.2014.08.001  JN:SYNTHETIC METALS  PY:2014
  TC:8  AU: Wu, Jiansheng;Sun, Yimeng;Pei, Wen-Bo;Huang, Ling;Xu, Wei;Zhang, Qichun;
19:2:135     Rubbing effect on surface morphology and thermoelectric properties of TTF-TCNQ thin films
DOI:10.1016/j.apsusc.2010.02.046  JN:APPLIED SURFACE SCIENCE  PY:2010
  TC:6  AU: Tamayo, E.;Hayashi, K.;Shinano, T.;Miyazaki, Y.;Kajitani, T.;
19:2:136     Synthesis and Characterization of Poly(3-octylthiophene)/ Single Wall Carbon Nanotube Composites for Photovoltaic Applications
DOI:10.1002/app.32436  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2010
  TC:10  AU: Kim, Hee Jin;Koizhaiganova, Raushan B.;Karim, Mohammad Rezaul;Lee, Gang Ho;Vasudevan, Thiagarajan;Lee, Mu Sang;
19:2:137     Thermoelectric Power and ZT in Conducting Organic Semiconductor
DOI:10.1007/s11664-011-1863-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Kwok, H. L.;
19:2:138     Thermoelectric studies of oligophenylenevinylene segmented block copolymers and their blends with MEH-PPV
DOI:10.1016/j.synthmet.2013.09.040  JN:SYNTHETIC METALS  PY:2013
  TC:5  AU: Taylor, Patrick S.;Korugic-Karasz, Ljiljana;Wilusz, Eugene;Lahti, Paul M.;Karasz, Frank E.;
19:2:139     Monte Carlo simulation for investigating influence of junction and nanofiber properties on electrical conductivity of segregated-network nanocomposites
DOI:10.1016/j.actamat.2011.04.001  JN:ACTA MATERIALIA  PY:2011
  TC:4  AU: Narayanunni, Vinay;Gu, Heng;Yu, Choongho;
19:2:140     Conductivity scaling and thermoelectric properties of polyaniline hydrochloride
DOI:10.1063/1.4862640  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Limelette, P.;Schmaltz, B.;Brault, D.;Gouineau, M.;Autret-Lambert, C.;Roger, S.;Grimal, V.;Van, F. Tran;
19:2:141     Hybrid Thermoelectric-Photovoltaic Generators in Wireless Electroencephalography Diadem and Electrocardiography Shirt
DOI:10.1007/s11664-010-1230-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:8  AU: Leonov, Vladimir;Torfs, Tom;Vullers, Ruud J. M.;Van Hoof, Chris;
19:2:142     Thermoelectric Properties of Polyaniline Films with Different Doping Concentrations of (+/-)-10-Camphorsulfonic Acid
DOI:10.1007/s11664-012-2368-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Anno, Hiroaki;Hokazono, Masahiro;Akagi, Fumio;Hojo, Makoto;Toshima, Naoki;
19:2:143     A quick electrochemical approach for synthesizing the metal nanostructures stabilized with conducting polymers
DOI:10.1016/j.materresbull.2013.11.020  JN:MATERIALS RESEARCH BULLETIN  PY:2014
  TC:1  AU: Pandey, Rakesh K.;Lakshminarayanan, V.;
19:2:144     Light-Weight Flexible Carbon Nanotube Based Organic a Composites with Large Thermoelectric Power Factors (vol 5, pg 7885, 2011)
DOI:10.1021/nn404924h  JN:ACS NANO  PY:2013
  TC:0  AU: Yu, Choongho;Choi, Kyungwho;Yin, Liang;Grunlan, Jaime C.;
19:2:145     Organic thermoelectric materials and devices based on p- and n-type Poly(metal 1,1,2,2-ethenetetrathiolate)s (vol 24, pg 932, 2012)
DOI:10.1002/adma.201290076  JN:ADVANCED MATERIALS  PY:2012
  TC:0  AU: Sun, Yimeng;Sheng, Peng;Di, Chongan;Jiao, Fei;Xu, Wei;Qiu, Dong;Zhu, Daoben;
19:2:146     Large thermal transport phase lagging improves thermoelectric efficiency
DOI:10.1007/s00339-012-7498-x  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2013
  TC:0  AU: Liu, Kang;Li, Man;Cui, Shuang;Hu, Xuejiao;
19:2:147     Enhanced Molecular Order in Polythiophene Films Electropolymerized in a Mixed Electrolyte of Anionic Surfactants and Boron Trifluoride Diethyl Etherate
DOI:10.1021/am201823g  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2012
  TC:6  AU: Santoso, Handoko T.;Singh, Virendra;Kalaitzidou, Kyriaki;Cola, Baratunde A.;
19:2:148     Synthesis, Chemical, and Thermoelectric Properties of n-Type pi-Conjugated Polymer Composed of 1,2,4-Triazole and Pyridine Rings and Its Metal Complexes
DOI:10.1002/app.39928  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2014
  TC:0  AU: Yamaguchi, Isao;Nagano, Tomoyuki;
19:2:149     Thermoelectric-Generator-Based DC-DC Conversion Networks for Automotive Applications
DOI:10.1007/s11664-011-1557-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:2  AU: Li, Molan;Xu, Shaohui;Chen, Qiang;Zheng, Li-Rong;
19:2:150     Thin Thermoelectric Generator System for Body Energy Harvesting
DOI:10.1007/s11664-011-1834-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:7  AU: Settaluri, Krishna T.;Lo, Hsinyi;Ram, Rajeev J.;
19:3:1:1     Multiple-Filled Skutterudites: High Thermoelectric Figure of Merit through Separately Optimizing Electrical and Thermal Transports
DOI:10.1021/ja111199y  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2011
  TC:219  AU: Shi, Xun;Yang, Jiong;Salvador, James R.;Chi, Miaofang;Cho, Jung Y.;Wang, Hsin;Bai, Shengqiang;Yang, Jihui;Zhang, Wenqing;Chen, Lidong;
19:3:1:2     High-temperature electrical and thermal transport properties of fully filled skutterudites RFe4Sb12 (R = Ca, Sr, Ba, La, Ce, Pr, Nd, Eu, and Yb)
DOI:10.1063/1.3553842  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:61  AU: Qiu, P. F.;Yang, J.;Liu, R. H.;Shi, X.;Huang, X. Y.;Snyder, G. J.;Zhang, W.;Chen, L. D.;
19:3:1:3     Enhanced thermoelectric properties of p-type CoSb3/graphene nanocomposite
DOI:10.1039/c3ta13202a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:7  AU: Feng, Bin;Xie, Jian;Cao, Gaoshao;Zhu, Tiejun;Zhao, Xinbing;
19:3:1:4     Trends in electrical transport of p-type skutterudites RFe4Sb12 (R = Na, K, Ca, Sr, Ba, La, Ce, Pr, Yb) from first-principles calculations and Boltzmann transport theory
DOI:10.1103/PhysRevB.84.235205  JN:PHYSICAL REVIEW B  PY:2011
  TC:15  AU: Yang, Jiong;Qiu, P.;Liu, R.;Xi, L.;Zheng, S.;Zhang, W.;Chen, L.;Singh, D. J.;Yang, Jihui;
19:3:1:5     High temperature thermoelectric properties of p-type skutterudites BaxYbyCo4-zFezSb12
DOI:10.1063/1.4759370  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:7  AU: Dong, Y.;Puneet, P.;Tritt, T. M.;Martin, J.;Nolas, G. S.;
19:3:1:6     Enhanced thermoelectric performance in p-type Ca0.5Ce0.5Fe4-xNixSb12 skutterudites by adjusting the carrier concentration
DOI:10.1016/j.jallcom.2011.10.042  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:10  AU: Tan, Gangjian;Wang, Shanyu;Yan, Yonggao;Li, Han;Tang, Xinfeng;
19:3:1:7     Properties of alkaline-earth-filled skutterudite antimonides: A(Fe,Ni)(4)Sb-12 (A=Ca, Sr, and Ba)
DOI:10.1103/PhysRevB.82.075115  JN:PHYSICAL REVIEW B  PY:2010
  TC:12  AU: Singh, David J.;Du, Mao-Hua;
19:3:1:8     Effects of Sn-doping on the electrical and thermal transport properties of p-type Cerium filled skutterudites
DOI:10.1016/j.jallcom.2010.09.162,  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:17  AU: Qiu, Pengfei;Shi, Xun;Chen, Xihong;Huang, Xiangyang;Liu, Ruiheng;Chen, Lidong;
19:3:1:9     Low thermal conductivity and enhanced thermoelectric performance of Gd-filled skutterudites
DOI:10.1063/1.3533743  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:20  AU: Liu, Ruiheng;Chen, Xihong;Qiu, Pengfei;Liu, Jinfeng;Yang, Jiong;Huang, Xiangyang;Chen, Lidong;
19:3:1:10     Preparation and Enhanced Thermoelectric Properties of p-Type BaFe12O19/CeFe3CoSb12 Magnetic Nanocomposite Materials
DOI:10.1007/s11664-013-2746-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Zhou, Hong-Yu;Zhao, Wen-Yu;Zhu, Wan-Ting;Yu, Jian;Wei, Ping;Tang, Ding-Guo;Zhang, Qing-Jie;
19:3:1:11     Thermoelectric Properties of Heavy Rare Earth Filled Skutterudites DyyFexCo4-xSb12
DOI:10.1007/s11664-012-2251-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Luo, Tao;Liu, Ruiheng;Qiu, Pengfei;Zhou, Yanfei;Lin, Zhiwei;Lei, Yong;Shi, Xun;Zhang, Wenqing;Chen, Lidong;
19:3:1:12     Effects of Excess Sb on Thermoelectric Properties of Barium and Indium Double-Filled Iron-Based p-Type Skutterudite Materials
DOI:10.1007/s11664-012-2029-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:11  AU: Yu, Jian;Zhao, Wen-yu;Wei, Ping;Tang, Ding-guo;Zhang, Qing-jie;
19:3:1:13     Power factor enhancement in light valence band p-type skutterudites
DOI:10.1063/1.4733663  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:6  AU: Yang, Jiong;Liu, R.;Chen, Z.;Xi, L.;Yang, Jihui;Zhang, W.;Chen, L.;
19:3:1:14     Thermoelectric Performance Optimization in p-Type Ce (y) Fe3CoSb12 Skutterudites
DOI:10.1007/s11664-013-2849-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Tan, G. J.;Wang, S. Y.;Tang, X. F.;
19:3:1:15     Effects of Cobalt Substitution for Fe on the Thermoelectric Properties of p-Type CeFe(4-x)CoxSb(12) Skutterudites
DOI:10.1007/s11664-011-1890-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:9  AU: Tan, G. J.;Wang, S. Y.;Yan, Y. G.;Li, H.;Tang, X. F.;
19:3:1:16     Theoretical Study on Structural Stability of Fully Filled p-Type Skutterudites RETM4Sb12 (RE = Rare Earth; TM = Fe, Ru)
DOI:10.1007/s11664-013-2594-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:6  AU: Chen, Zhuo;Yang, Jiong;Liu, Ruiheng;Xi, Lili;Zhang, Wenqing;Yang, Jihui;
19:3:1:17     Effects of Ge Dopant on Thermoelectric Properties of Barium and Indium Double-Filled p-Type Skutterudites
DOI:10.1007/s11664-012-2265-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Yu, Jian;Zhao, Wen-Yu;Lei, Bing;Tang, Ding-Guo;Zhang, Qing-Jie;
19:3:1:18     Composition optimization of p-type skutterudites CeyFexCo4-xSb12 and YbyFexCo4-xSb12
DOI:10.1557/jmr.2011.85  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:19  AU: Liu, Ruiheng;Qiu, Pengfei;Chen, Xihong;Huang, Xiangyang;Chen, Lidong;
19:3:1:19     Rapid preparation and thermoelectric properties of Ba and In double-filled p-type skutterudite bulk materials
DOI:10.1016/j.scriptamat.2012.12.029  JN:SCRIPTA MATERIALIA  PY:2013
  TC:8  AU: Yu, Jian;Zhao, Wenyu;Zhou, Hongyu;Wei, Ping;Zhang, Qingjie;
19:3:1:20     Thermoelectric performance of p-type skutterudites YbxFe4-yPtySb12 (0.8 <= x <= 1, y=1 and 0.5)
DOI:10.1063/1.4800827  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:5  AU: Cho, Jung Young;Ye, Zuxin;Tessema, Misle M.;Salvador, James R.;Waldo, Richard A.;Yang, Jiong;Zhang, Wenqing;Yang, Jihui;Cai, W.;Wang, H.;
19:3:1:21     Thermoelectric properties of p-type skutterudites YbxFe3.5Ni0.5Sb12 (0.8 <= x <= 1)
DOI:10.1016/j.actamat.2011.12.022  JN:ACTA MATERIALIA  PY:2012
  TC:14  AU: Cho, J. Y.;Ye, Z.;Tessema, M. M.;Waldo, R. A.;Salvador, J. R.;Yang, J.;Cai, W.;Wang, H.;
19:3:1:22     Thermoelectric properties of Ni-doped CeFe4Sb12 skutterudites
DOI:10.1063/1.3677971  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:11  AU: Qiu, P. F.;Liu, R. H.;Yang, J.;Shi, X.;Huang, X. Y.;Zhang, W.;Chen, L. D.;Yang, Jihui;Singh, D. J.;
19:3:1:23     Thermoelectric properties of beta-FeSi2
DOI:10.1063/1.4825217  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:5  AU: Pandey, Tribhuwan;Singh, David J.;Parker, David;Singh, Abhishek K.;
19:3:1:24     Preparation and Thermoelectric Properties of p-Type Yb-Filled Skutterudites
DOI:10.1007/s11664-012-2253-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:6  AU: Park, Kwan-Ho;Kim, Il-Ho;Choi, Soon-Mok;Seo, Won-Seon;Cheong, Dong-Ik;Kang, Hyung;
19:3:1:25     Preparation and thermoelectric properties of p-type filled skutterudites CeyFe4-xNixSb12
DOI:10.1016/j.jallcom.2013.09.051  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Tan, Gangjian;Zheng, Yun;Yan, Yonggao;Tang, Xinfeng;
19:3:2:1     Nanostructuring of p- and n-type skutterudites reaching figures of merit of approximately 1.3 and 1.6, respectively
DOI:10.1016/j.actamat.2014.05.051  JN:ACTA MATERIALIA  PY:2014
  TC:13  AU: Rogl, G.;Grytsiv, A.;Rogl, P.;Bauer, E.;Hochenhofer, M.;Anbalagan, R.;Mallik, R. C.;Schafler, E.;
19:3:2:2     High-pressure torsion, a new processing route for thermoelectrics of high ZTs by means of severe plastic deformation
DOI:10.1016/j.actamat.2011.12.023  JN:ACTA MATERIALIA  PY:2012
  TC:33  AU: Rogl, Gerda;Setman, Daria;Schafler, Erhard;Horky, Jelena;Kerber, Michael;Zehetbauer, Michael;Falmbigl, Matthias;Rogl, Peter;Royanian, Esmaeil;Bauer, Ernst;
19:3:2:3     Effect of HPT processing on the structure, thermoelectric and mechanical properties of Sr0.07Ba0.07Yb0.07Co4Sb12
DOI:10.1016/j.jallcom.2012.05.011  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:25  AU: Rogl, Gerda;Aabdin, Zainul;Schafler, Erhard;Horky, Jelena;Setman, Daria;Zehetbauer, Michael;Kriegisch, Martin;Eibl, Oliver;Grytsiv, Andriy;Bauer, Ernst;Reinecker, Marius;Schranz, Wilfried;Rogl, Peter;
19:3:2:4     Electrical properties and microcosmic study on compound defects in Ga-containing thermoelectric skutterudites
DOI:10.1039/c4ta00487f  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:6  AU: Qiu, Yuting;Xing, Juanjuan;Gao, Xiang;Xi, Lili;Shi, Xun;Gu, Hui;Chen, Lidong;
19:3:2:5     Thermoelectric performance of mischmetal skutterudites Mm(y)Fe(4-x)Co(x)Sb(12) at elevated temperatures
DOI:10.1016/j.jallcom.2009.10.033  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:28  AU: Zhang, L.;Grytsiv, A.;Kerber, M.;Rogl, P.;Bauer, E.;Zehetbauer, M.;
19:3:2:6     Thermoelectric properties of Fe(0.2)Co(3.8)Sbi(12-x)Te(x) skutterudites
DOI:10.1016/j.actamat.2013.07.032  JN:ACTA MATERIALIA  PY:2013
  TC:12  AU: Mallik, R. C.;Anbalagan, R.;Rogl, G.;Royanian, E.;Heinrich, P.;Bauer, E.;Rogl, P.;Suwas, S.;
19:3:2:7     n-Type skutterudites (R,Ba,Yb)(y)Co4Sb12 (R = Sr, La, Mm, DD, SrMm, SrDD) approaching ZT approximate to 2.0
DOI:10.1016/j.actamat.2013.09.039  JN:ACTA MATERIALIA  PY:2014
  TC:18  AU: Rogl, G.;Grytsiv, A.;Rogl, P.;Peranio, N.;Bauer, E.;Zehetbauer, M.;Eibl, O.;
19:3:2:8     Impact of high pressure torsion on the microstructure and physical properties of Pr0.67Fe3CoSb12, Pr0.71Fe3.5Ni0.5Sb12, and Ba0.06Co4Sb12
DOI:10.1016/j.jallcom.2010.01.042  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:15  AU: Zhang, L.;Grytsiv, A.;Bonarski, B.;Kerber, M.;Setman, D.;Schafler, E.;Rogl, P.;Bauer, E.;Hilscher, G.;Zehetbauer, M.;
19:3:2:9     New p- and n-type skutterudites with ZT > 1 and nearly identical thermal expansion and mechanical properties
DOI:10.1016/j.actamat.2013.03.031  JN:ACTA MATERIALIA  PY:2013
  TC:5  AU: Rogl, G.;Grytsiv, A.;Royanian, E.;Heinrich, P.;Bauer, E.;Rogl, P.;Zehetbauer, M.;Puchegger, S.;Reinecker, M.;Schranz, W.;
19:3:2:10     Dependence of thermoelectric behaviour on severe plastic deformation parameters: A case study on p-type skutterudite DD0.60Fe3CoSb12
DOI:10.1016/j.actamat.2013.07.052  JN:ACTA MATERIALIA  PY:2013
  TC:10  AU: Rogl, Gerda;Grytsiv, Andriy;Rogl, Peter;Royanian, Esmaeil;Bauer, Ernst;Horky, Jelena;Setman, Daria;Schafler, Erhard;Zehetbauer, Michael;
19:3:2:11     Thermal expansion of skutterudites
DOI:10.1063/1.3284088  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:22  AU: Rogl, G.;Zhang, L.;Rogl, P.;Grytsiv, A.;Falmbigl, M.;Rajs, D.;Kriegisch, M.;Mueller, H.;Bauer, E.;Koppensteiner, J.;Schranz, W.;Zehetbauer, M.;Henkie, Z.;Maple, M. B.;
19:3:2:12     Intensive suppression of thermal conductivity in Nd0.6Fe2Co2Sb12-xGex through spontaneous precipitates
DOI:10.1063/1.4819889  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:6  AU: Zhang, Long;Duan, Fenfen;Li, Xiaodong;Yan, Xinlin;Hu, Wentao;Wang, Limin;Liu, Zhongyuan;Tian, Yongjun;Xu, Bo;
19:3:2:13     Influence of filler element and Ni-substitution on thermoelectric properties of multi-filled skutterudites
DOI:10.1016/j.jallcom.2010.05.083  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:10  AU: Zhang, L.;Melnychenko-Koblyuk, N.;Royanian, E.;Grytsiv, A.;Rogl, P.;Bauer, E.;
19:3:2:14     Coupled vibrational modes in multiple-filled skutterudites and the effects on lattice thermal conductivity reduction
DOI:10.1063/1.4796121  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:4  AU: Guo, L.;Xu, X.;Salvador, J. R.;Meisner, G. P.;
19:3:2:15     Thermoelectric properties of p-type didymium (DD) based skutterudites DDy(Fe1-xNix)(4)Sb-12 (0.13 <= x <= 0.25, 0.46 <= y <= 0.68)
DOI:10.1016/j.jallcom.2012.04.121  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:14  AU: Rogl, G.;Grytsiv, A.;Falmbigl, M.;Bauer, E.;Rogl, P.;Zehetbauer, M.;Gelbstein, Y.;
19:3:2:16     High-Pressure Torsion to Improve Thermoelectric Efficiency of Clathrates?
DOI:10.1007/s11664-012-2440-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:6  AU: Yan, X.;Falmbigl, M.;Rogl, G.;Grytsiv, A.;Prokofiev, A.;Bauer, E.;Rogl, P.;Zehetbauer, M.;Paschen, S.;
19:3:2:17     Effect of High-Pressure Torsion on Texture, Microstructure, and Raman Spectroscopy: Case Study of Fe- and Te-Substituted CoSb3
DOI:10.1007/s11664-014-3179-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Anbalagan, R.;Rogl, Gerda;Zehetbauer, Michael;Sharma, Amit;Rogl, Peter;Suwas, Satyam;Mallik, Ramesh Chandra;
19:3:2:18     High-Pressure Synthesis, Structure, and Electrical Property of Iodine-Filled Skutterudite I0.9Rh4Sb12-First Anion-Filled Skutterudite
DOI:10.1021/cm901594q  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:10  AU: Fukuoka, Hiroshi;Yamanaka, Shoji;
19:3:2:19     Spinodal decomposition in (CaxBa1-x)(y)Fe4Sb12
DOI:10.1016/j.actamat.2012.04.038  JN:ACTA MATERIALIA  PY:2012
  TC:2  AU: Rogl, G.;Grytsiv, A.;Falmbigl, M.;Bauer, E.;Mangler, C.;Rentenberger, C.;Zehetbauer, M.;Rogl, P.;
19:3:2:20     Scavenging Elemental Sb Through Addition of NbSb2 to Mm(0.9)Fe(3.5)Co(0.5)Sb(12) Skutterudites
DOI:10.1007/s11664-011-1893-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Zhang, L.;Zhou, C.;Morelli, D.;Sakamoto, J.;
19:3:2:21     Molecular Dynamics Study on Amorphization of TiNi by Severe Plastic Deformation
DOI:10.2320/matertrans.MH201311  JN:MATERIALS TRANSACTIONS  PY:2013
  TC:0  AU: Shimono, Masato;Tsuchiya, Koichi;Onodera, Hidehiro;
19:3:3:1     Preparation and structural evolution of Mo/SiOx protective coating on CoSb3-based filled skutterudite thermoelectric material
DOI:10.1016/j.jallcom.2014.03.086  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Xia, Xugui;Huang, Xiangyang;Li, Xiaoya;Gu, Ming;Qiu, Pengfei;Liao, Jincheng;Tang, Yunshan;Bai, Shengqiang;Chen, Lidong;
19:3:3:2     High temperature oxidation behavior of cobalt triantimonide thermoelectric material
DOI:10.1016/j.jallcom.2010.05.160  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:17  AU: Zhao, Degang;Tian, Changwen;Tang, Shouqiu;Liu, Yunteng;Chen, Lidong;
19:3:3:3     High temperature sublimation behavior of antimony in CoSb3 thermoelectric material during thermal duration test
DOI:10.1016/j.jallcom.2010.11.204  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:16  AU: Zhao, Degang;Tian, Changwen;Liu, Yunteng;Zhan, Chengwei;Chen, Lidong;
19:3:3:4     Fabrication and thermal aging behavior of skutterudites with silica-based composite protective coatings
DOI:10.1016/j.jallcom.2012.02.116  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:9  AU: Dong, Hongliang;Li, Xiaoya;Tang, Yunshan;Zou, Ji;Huang, Xiangyang;Zhou, Yanfei;Jiang, Wan;Zhang, Guo-jun;Chen, Lidong;
19:3:3:5     Protective properties of magnetron-sputtered Ti coating on CoSb3 thermoelectric material
DOI:10.1016/j.apsusc.2014.02.173  JN:APPLIED SURFACE SCIENCE  PY:2014
  TC:1  AU: Zhao, Degang;Zuo, Min;Wang, Zhenqing;Teng, Xinying;Geng, Haoran;
19:3:3:6     Improved oxidation resistance of thermoelectric skutterudites coated with composite glass
DOI:10.1016/j.ceramint.2012.11.051  JN:CERAMICS INTERNATIONAL  PY:2013
  TC:8  AU: Dong, Hongliang;Li, Xiaoya;Huang, Xiangyang;Zhou, Yanfei;Jiang, Wan;Chen, Lidong;
19:3:3:7     Thermoelectric properties of rare earths filled CoSb3 based nanostructure skutterudite
DOI:10.1016/j.jallcom.2010.06.040  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:17  AU: Lu, Peng-Xian;Wu, Fang;Han, Hai-Long;Wang, Qian;Shen, Zi-Gang;Hu, Xing;
19:3:3:8     High-Temperature Oxidation Behavior of Filled Skutterudites YbyCo4Sb12
DOI:10.1007/s11664-012-2038-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:8  AU: Xia, Xugui;Qiu, Pengfei;Shi, Xun;Li, Xiaoya;Huang, Xiangyang;Chen, Lidong;
19:3:3:9     Oxidation Behavior of Filled Skutterudite CeFe4Sb12 in Air
DOI:10.1007/s11664-013-2820-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:4  AU: Xia, Xugui;Qiu, Pengfei;Huang, Xiangyang;Wan, Shun;Qiu, Yuting;Li, Xiaoya;Chen, Lidong;
19:3:3:10     "Pesting"-like oxidation phenomenon of p-type filled skutterudite Ce0.9Fe3COSb12
DOI:10.1016/j.jallcom.2014.05.215  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Qiu, Pengfei;Xia, Xugui;Huang, Xiangyang;Gu, Ming;Qiu, Yuting;Chen, Lidong;
19:3:3:11     Examination of CeFe4Sb12 upon exposure to air: Is this material appropriate for use in terrestrial, high-temperature thermoelectric devices?
DOI:10.1016/j.jallcom.2010.05.167  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:14  AU: Sklad, Alina C.;Gaultois, Michael W.;Grosvenor, Andrew P.;
19:3:3:12     Methods for Enhancing the Thermal Durability of High-Temperature Thermoelectric Materials
DOI:10.1007/s11664-013-2917-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Skomedal, Gunstein;Kristiansen, Nils R.;Engvoll, Marianne;Middleton, Hugh;
19:3:3:13     Thermoelectric properties of SmxCo4Sb12 prepared by high pressure and high temperature
DOI:10.1016/j.jallcom.2009.12.150  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:7  AU: Jiang, Y. P.;Jia, X. P.;Su, T. C.;Dong, N.;Yu, F. R.;Tian, Y. J.;Guo, W.;Xu, H. W.;Deng, L.;Ma, H. A.;
19:3:3:14     Thermal Decomposition of Thermoelectric Material CoSb3: A Thermogravimetry Kinetic Analysis
DOI:10.1007/s11664-013-2633-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Wu, Fang;He, Qingli;Hu, Dinxu;Gao, Feng;Song, Hongzhang;Jia, Jianfeng;Hu, Xing;
19:3:3:15     Effect of thickness and substrate temperature on the properties of transparent Ti-doped In2O3 films grown by direct current magnetron sputtering
DOI:10.1016/j.tsf.2013.02.073  JN:THIN SOLID FILMS  PY:2013
  TC:7  AU: Kim, Dong-Ju;Kim, Bong-sueg;Kim, Han-Ki;
19:3:3:16     Improved oxidation resistance of thermoelectric skutterudites coated with composite glass (vol 39, pg 4551, 2013)
DOI:10.1016/j.ceramint.2013.08.032  JN:CERAMICS INTERNATIONAL  PY:2014
  TC:0  AU: Dong, Hongliang;Li, Xiaoya;Huang, Xiangyang;Zhou, Yanfei;Jiang, Wan;Chen, Lidong;
19:3:3:17     The synthesis, structure, magnetic and electrical properties of FeSb2-xPbxO4
DOI:10.1039/c1jm12645h  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:5  AU: Whitaker, Mariana J.;Bayliss, Ryan D.;Berry, Frank J.;Greaves, Colin;
19:3:4:1     Realization of high thermoelectric performance in n-type partially filled skutterudites
DOI:10.1557/jmr.2011.84  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:25  AU: Shi, Xun;Bai, Shengqiang;Xi, Lili;Yang, Jiong;Zhang, Wenqing;Chen, Lidong;Yang, Jihui;
19:3:4:2     Great thermoelectric power factor enhancement of CoSb3 through the lightest metal element filling
DOI:10.1063/1.3557068  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:18  AU: Zhang, Jianjun;Xu, Bo;Wang, Li-Min;Yu, Dongli;Liu, Zhongyuan;He, Julong;Tian, Yongjun;
19:3:4:3     Lattice thermal transport in BaxREyCo4Sb12 (RE=Ce, Yb, and Eu) double-filled skutterudites
DOI:10.1063/1.3429606  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:19  AU: Bai, S. Q.;Shi, X.;Chen, L. D.;
19:3:4:4     Investigation of skutterudite MgyCo4Sb12: High pressure synthesis and thermoelectric properties
DOI:10.1063/1.4795599  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:6  AU: Yang, Jianqing;Zhang, Long;Liu, Yadi;Chen, Chen;Li, Jianghua;Yu, Dongli;He, Julong;Liu, Zhongyuan;Tian, Yongjun;Xu, Bo;
19:3:4:5     Influence of Ni impurities on the thermoelectric properties of Ca-partially filled skutterudites CaxCo4Sb12
DOI:10.1063/1.4768439  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:9  AU: Puyet, M.;Lenoir, B.;Dauscher, A.;Candolfi, C.;Hejtmanek, J.;Stiewe, C.;Mueller, E.;
19:3:4:6     High-pressure synthesis of phonon-glass electron-crystal featured thermoelectric LixCo4Sb12
DOI:10.1016/j.actamat.2011.10.059  JN:ACTA MATERIALIA  PY:2012
  TC:13  AU: Zhang, Jianjun;Xu, Bo;Wang, Li-Min;Yu, Dongli;Yang, Jianqing;Yu, Fengrong;Liu, Zhongyuan;He, Julong;Wen, Bin;Tian, Yongjun;
19:3:4:7     Thermoelectric and mechanical properties of melt spun and spark plasma sintered n-type Yb- and Ba-filled skutterudites
DOI:10.1016/j.mseb.2013.06.023  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2013
  TC:13  AU: Salvador, James R.;Waldo, Richard A.;Wong, Curtis A.;Tessema, Misle;Brown, David N.;Miller, David J.;Wang, Hsin;Wereszczak, Andrew A.;Cai, Wei;
19:3:4:8     Thermoelectric properties of n-type Sr (x) M (y) Co4Sb12 (M=Yb, Ba) double-filled skutterudites
DOI:10.1007/s00339-010-5711-3  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2010
  TC:15  AU: Bai, S. Q.;Huang, X. Y.;Chen, L. D.;Zhang, W.;Zhao, X. Y.;Zhou, Y. F.;
19:3:4:9     Enhancement of thermoelectric performance in slightly charge-compensated CeyCo4Sb12 skutterudites
DOI:10.1063/1.4817720  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Qiu, Pengfei;Shi, Xun;Qiu, Yuting;Huang, Xiangyang;Wan, Shun;Zhang, Wenqing;Chen, Lidong;Yang, Jihui;
19:3:4:10     Improved thermoelectric performance of n-type Ca and Ca-Ce filled skutterudites
DOI:10.1063/1.4904187  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Thompson, Daniel R.;Liu, Chang;Ellison, Nicole D.;Salvador, James R.;Meyer, Martin S.;Haddad, Daad B.;Wang, Hsin;Cai, W.;
19:3:4:11     Synthesis of iodine filled CoSb3 with extremely low thermal conductivity
DOI:10.1016/j.jallcom.2014.06.198  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Li, Xiaodong;Xu, Bo;Zhang, Long;Duan, Fenfen;Yan, Xinlin;Yang, Jianqing;Tian, Yongjun;
19:3:4:12     Thermal to Electrical Energy Conversion of Skutterudite-Based Thermoelectric Modules
DOI:10.1007/s11664-012-2261-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:8  AU: Salvador, James R.;Cho, Jung Y.;Ye, Zuxin;Moczygemba, Joshua E.;Thompson, Alan J.;Sharp, Jeffrey W.;Koenig, Jan D.;Maloney, Ryan;Thompson, Travis;Sakamoto, Jeffrey;Wang, Hsin;Wereszczak, Andrew A.;Meisner, Gregory P.;
19:3:5:1     Structure and Transport Properties of Double-Doped CoSb2.75Ge0.25-xTex (x=0.125-0.20) with in Situ Nanostructure
DOI:10.1021/cm200560s  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:46  AU: Su, Xianli;Li, Han;Wang, Guoyu;Chi, Hang;Zhou, Xiaoyuan;Tang, Xinfeng;Zhang, Qingjie;Uher, Ctirad;
19:3:5:2     Thermoelectric performance of tellurium and sulfur double-substituted skutterudite materials
DOI:10.1007/s10853-014-8141-3  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:1  AU: Duan, Bo;Zhai, Pengcheng;Xu, Chenglong;Ding, Shijie;Li, Peng;Zhang, Qingjie;
19:3:5:3     Multitemperature crystal structures and physical properties of the partially filled thermoelectric skutterudites M0.1Co4Sb12(M = La, Ce, Nd, Sm, Yb, and Eu)
DOI:10.1103/PhysRevB.84.064114  JN:PHYSICAL REVIEW B  PY:2011
  TC:8  AU: Mi, Jian-Li;Christensen, Mogens;Nishibori, Eiji;Iversen, Bo Brummerstedt;
19:3:5:4     Thermoelectric properties of indium filled and germanium doped Co4Sb12 skutterudites
DOI:10.1063/1.3677982  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:9  AU: Mallik, Ramesh Chandra;Mueller, Eckhard;Kim, Il-Ho;
19:3:5:5     Effects of Se substitution on the thermoelectric performance of n-type Co4Sb11.3Te0.7-xSex skutterudites
DOI:10.1016/j.materresbull.2012.03.059  JN:MATERIALS RESEARCH BULLETIN  PY:2012
  TC:8  AU: Duan, Bo;Zhai, Pengcheng;Liu, Lisheng;Zhang, Qingjie;
19:3:5:6     Microstructure and thermoelectric properties of CoSb2.75Ge0.25-xTex prepared by rapid solidification
DOI:10.1016/j.actamat.2012.02.034  JN:ACTA MATERIALIA  PY:2012
  TC:15  AU: Su, Xianli;Li, Han;Yan, Yonggao;Wang, Guoyu;Chi, Hang;Zhou, Xiaoyuan;Tang, Xinfeng;Zhang, Qingjie;Uher, Ctirad;
19:3:5:7     Thermoelectric Performance of Multiple-Doped Co4Sb12-x-y-z Ge (x) Te (y) S (z) Skutterudite Compounds
DOI:10.1007/s11664-012-2288-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Duan, Bo;Zhai, Pengcheng;Liu, Lisheng;Chen, Gang;Li, Peng;Zhang, Qingjie;
19:3:5:8     Enhanced thermoelectric performance in sulfur-doped Co4Sb11.9-xTexS0.1 skutterudites
DOI:10.1016/j.matlet.2012.03.104  JN:MATERIALS LETTERS  PY:2012
  TC:3  AU: Duan, Bo;Zhai, Pengcheng;Liu, Lisheng;Zhang, Qingjie;
19:3:5:9     Configuring pnicogen rings in skutterudites for low phonon conductivity
DOI:10.1103/PhysRevB.86.195209  JN:PHYSICAL REVIEW B  PY:2012
  TC:8  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD)  in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum  coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;Spin-assisted covalent bond mechanism in "charge-ordering" perovskite;oxides;PHYSICAL REVIEW B;86;19;195144;10.1103/PhysRevB.86.195144;NOV 30 2012;2012;First-principles density functional calculations on the metal-insulator;transition (MIT) in perovskite CaFeO3 point to local ferromagnetic;coupling as the microscopic origin for the electronic "charge order";transition. Our atomic, electronic, and magnetic structure analyses;reveal that the MIT results from a spin-assisted covalent bonding;mechanism between the O 2p and Fe 3d states with anisotropic Fe-O bonds;and negligible intersite Fe-Fe charge transfer. We suggest that control;of the lattice distortions, which mediate the covalent bond formation,;in oxides containing late transition-metal row cations in high valence;states provides a platform to tailor electronic transitions.;Rondinelli, James/A-2071-2009; Cammarata, Antonio/A-4883-2014;Rondinelli, James/0000-0003-0508-2175; Cammarata,;Antonio/0000-0002-5691-0682;7;0;0;0;7;1098-0121;WOS:000311715000003;;;J;Clem, John R.;Kogan, V. G.;Kinetic impedance and depairing in thin and narrow superconducting films;PHYSICAL REVIEW B;86;17;174521;10.1103/PhysRevB.86.174521;NOV 30 2012;2012;We use both Eilenberger-Usadel and Ginzburg-Landau (GL) theory to;calculate the superfluid's temperature-dependent kinetic inductance for;all currents up to the depairing current in thin and narrow;superconducting films. The calculations apply to BCS weak-coupling;superconductors with isotropic gaps and transport mean-free paths much;less than the BCS coherence length. The kinetic inductance is calculated;for the response to a small alternating current when the film is;carrying a dc bias current. In the slow-experiment/fast-relaxation;limit, in which the superconducting order parameter quasistatically;follows the time-dependent current, the kinetic inductance diverges as;the bias current approaches the depairing value. However, in the;fast-experiment/slow-relaxiation limit, in which the the superconducting;order parameter remains fixed at a value corresponding to the dc bias;current, the kinetic inductance rises to a finite value at the depairing;current. We then use time-dependent GL theory to calculate the kinetic;impedance of the superfluid, which includes not only the kinetic;reactance, but also the kinetic resistance of the superfluid arising;from dissipation due to order-parameter relaxation. The kinetic;resistance is largest for angular frequencies omega obeying omega tau(s);> 1, where tau(s) is the order-parameter relaxation time, and for bias;currents close to the depairing current. We also include the normal;fluid's contribution to dissipation in deriving an expression for the;total kinetic impedance. The Appendices contain many details about the;temperature-dependent behavior of superconductors carrying current up to;the depairing value.;3;0;0;0;3;1098-0121;WOS:000311714600005;;;J;Cohn, J. L.;Boynton, P.;Trivino, J. S.;Trastoy, J.;White, B. D.;dos Santos, C. A. M.;Neumeier, J. J.;Stoichiometry, structure, and transport in the quasi-one-dimensional;metal Li0.9Mo6O17;PHYSICAL REVIEW B;86;19;195143;10.1103/PhysRevB.86.195143;NOV 30 2012;2012;A correlation between lattice parameters, oxygen composition, and the;thermoelectric and Hall coefficients is presented for single-crystal;Li0.9Mo6O17, a quasi-one-dimensional (Q1D) metallic compound. The;possibility that this compound is a compensated metal is discussed in;light of a substantial variability observed in the literature for these;transport coefficients.;1;0;0;0;1;1098-0121;WOS:000311715000002;;;J;Crepaldi, A.;Ressel, B.;Cilento, F.;Zacchigna, M.;Grazioli, C.;Berger, H.;Bugnon, Ph.;Kern, K.;Grioni, M.;Parmigiani, F.;Ultrafast photodoping and effective Fermi-Dirac distribution of the;Dirac particles in Bi2Se3;PHYSICAL REVIEW B;86;20;205133;10.1103/PhysRevB.86.205133;NOV 30 2012;2012;We exploit time- and angle-resolved photoemission spectroscopy to;determine the evolution of the out-of-equilibrium electronic structure;of the topological insulator Bi2Se3. The response of the Fermi-Dirac;distribution to ultrashort IR laser pulses has been studied by modeling;the dynamics of hot electrons after optical excitation. We disentangle a;large increase in the effective temperature (T*) from a shift of the;chemical potential (mu*), which is consequence of the ultrafast;photodoping of the conduction band. The relaxation dynamics of T* and;mu* are k independent and these two quantities uniquely define the;evolution of the excited charge population. We observe that the energy;dependence of the nonequilibrium charge population is solely determined;by the analytical form of the effective Fermi-Dirac distribution.;14;1;0;0;14;1098-0121;WOS:000311715100007;;;J;Dumlich, Heiko;Reich, Stephanie;Nanotube bundles and tube-tube orientation: A van der Waals density;functional study (vol 84, 064121, 2011);PHYSICAL REVIEW B;86;17;179905;10.1103/PhysRevB.86.179905;NOV 30 2012;2012;0;0;0;0;0;1098-0121;WOS:000311714600007;;;J;Fukutani, Keisuke;Hayashi, Hirokazu;Yakovkin, Ivan N.;Habuchi, Takafumi;Hirayama, Daisuke;Jiang, Jian;Iwasawa, Hideaki;Shimada, Kenya;Losovyj, Ya. B.;Dowben, Peter A.;Enhanced electron-phonon coupling at the Au/Mo(112) surface;PHYSICAL REVIEW B;86;20;205432;10.1103/PhysRevB.86.205432;NOV 30 2012;2012;A detailed investigation of the electronic structure and electron-phonon;coupling for a Au monolayer on the Mo(112) surface is presented. The;electronic states of bulk Mo and the (112) surface-derived states are;seen to strongly hybridize with those of the Au overlayer, resulting in;the formation of surface resonance states localized near the surface and;the interface of Au/Mo(112). The experimentally extracted self-energy;due to the electron-phonon coupling on one of the surface resonance;bands gives a good quantitative agreement with the calculations. The;strength of electron-phonon coupling for Au/Mo(112) is discussed in;terms of the mass enhancement factor and is considerably larger than for;the Mo(112) surface. Such an increase in the mass enhancement factor in;the vicinity of the Fermi level likely derives from the soft surface;phonon modes created upon Au adsorption.;2;0;0;0;2;1098-0121;WOS:000311715100011;;;J;Hamada, Ikutaro;Adsorption of water on graphene: A van der Waals density functional;study;PHYSICAL REVIEW B;86;19;195436;10.1103/PhysRevB.86.195436;NOV 30 2012;2012;The van der Waals density functional (vdW-DF) was used to investigate;the interaction of a water monomer with graphene. It was found that a;variant of vdW-DF [Hamada and Otani, Phys. Rev. B 82, 153412 (2010)];predicts geometries and energetics of water on graphene which are in;good agreement with those obtained using more elaborate random-phase;approximation and quantum Monte Carlo approaches. Interfacial electronic;structures were also analyzed in detail.;Hamada, Ikutaro/E-8040-2010;Hamada, Ikutaro/0000-0001-5112-2452;12;1;0;0;12;1098-0121;WOS:000311715000010;;;J;Hofmann, D.;Kuemmel, S.;Integer particle preference during charge transfer in Kohn-Sham theory;PHYSICAL REVIEW B;86;20;201109;10.1103/PhysRevB.86.201109;NOV 30 2012;2012;We investigate the static and dynamic charge transfer that is triggered;by external electric fields in model molecular wires. A self-interaction;correction in Kohn-Sham density functional theory leads to the desired;integer electron transfers that do not occur with standard functionals;which miss Coulomb blockade effects. Analysis of the multiplicative;exchange-correlation potential in stationary cases and during real-time;propagation shows how the local exchange-correlation potential builds up;step and reverse-step structures that enforce the integer particle;preference. The role of spin-symmetry breaking is discussed.;Kummel, Stephan/K-5634-2014;8;0;0;0;8;1098-0121;WOS:000311715100002;;;J;Illg, Christian;Meyer, Bernd;Faehnle, Manfred;Frequencies and polarization vectors of phonons: Results from force;constants which are fitted to experimental data or calculated ab initio;PHYSICAL REVIEW B;86;17;174309;10.1103/PhysRevB.86.174309;NOV 30 2012;2012;The properties of phonons may be calculated from the dynamical matrix;which is determined by force constants. Often the force constants are;obtained by fitting them to experimental phonon frequencies, e. g., for;wave vectors q on high-symmetry directions of the Brillouin zone. It is;well known that these force constants do not necessarily lead to correct;frequencies for wave vectors for nonsymmetrical q and to correct;polarization vectors. In the present paper this is demonstrated by;comparing for fcc Ni, fcc Al, and bcc Fe the frequencies and;polarization vectors calculated from fitted force constants with the;results from ab initio calculated force constants. However, for most;regions of the Brillouin zone the differences between the results;obtained from the two sets of force constants are not large.;1;0;0;0;1;1098-0121;WOS:000311714600003;;;J;Iori, Federico;Rodolakis, Fanny;Gatti, Matteo;Reining, Lucia;Upton, M.;Shvyd'ko, Y.;Rueff, Jean-Pascal;Marsi, Marino;Low-energy excitations in strongly correlated materials: A theoretical;and experimental study of the dynamic structure factor in V2O3;PHYSICAL REVIEW B;86;20;205132;10.1103/PhysRevB.86.205132;NOV 30 2012;2012;This work contains an experimental and theoretical study of the dynamic;structure factor at large momentum transfer vertical bar Q vertical bar;similar to 4 angstrom(-1) of the strongly correlated transition-metal;oxide V2O3. We focus in particular on the transitions between d states;that give rise to the spectra below 6 eV. We show that the main peak in;this energy range is mainly due to t(2g) -> e(g)(sigma) transitions, and;that it carries a signature of the phase transition between the;paramagnetic insulator and the paramagnetic metal that can already be;understood from the joint density of states calculated at the level of;the static local density approximation. Instead, in order to obtain;theoretical spectra that are overall similar to the measured ones, we;have to go beyond the static approximation and include at least crystal;local field effects. The latter turn out to be crucial in order to;eliminate a spurious peak and hence allow a safe comparison between;theory and experiment, including an analysis of the strong anisotropy of;the spectra.;CSIC-UPV/EHU, CFM/F-4867-2012; Iori, Federico/E-5372-2013; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Iori, Federico/0000-0002-7677-3435;;4;0;0;0;4;1098-0121;WOS:000311715100006;;;J;Kharitonov, Maxim;Antiferromagnetic state in bilayer graphene;PHYSICAL REVIEW B;86;19;195435;10.1103/PhysRevB.86.195435;NOV 30 2012;2012;Motivated by the recent experiment of Velasco Jr. et al. [J. Velasco Jr.;et al., Nat. Nanotechnology 7, 156 (2012)], we develop a mean-field;theory of the interaction-induced antiferromagnetic (AF) state in;bilayer graphene at charge neutrality point at arbitrary perpendicular;magnetic field B. We demonstrate that the AF state can persist at all B.;At higher B, the state continuously crosses over to the AF phase of the;nu = 0 quantum Hall ferromagnet, recently argued to be realized in the;insulating nu = 0 state. The mean-field quasiparticle gap is finite at B;= 0 and grows with increasing B, becoming quasilinear in the quantum;Hall regime, in accord with the reported behavior of the transport gap.;By adjusting the two free parameters of the model, we obtain a;simultaneous quantitative agreement between the experimental and;theoretical values of the key parameters of the gap dependence-its;zero-field value and slope at higher fields. Our findings suggest that;the insulating state observed in bilayer graphene in Ref. 1 is;antiferromagnetic (canted, once the Zeeman effect is taken into account);at all magnetic fields.;19;1;0;0;19;1098-0121;WOS:000311715000009;;;J;Klos, J. W.;Kumar, D.;Romero-Vivas, J.;Fangohr, H.;Franchin, M.;Krawczyk, M.;Barman, A.;Effect of magnetization pinning on the spectrum of spin waves in;magnonic antidot waveguides;PHYSICAL REVIEW B;86;18;184433;10.1103/PhysRevB.86.184433;NOV 30 2012;2012;We study the spin-wave spectra in magnonic antidot waveguides (MAWs) for;two limiting cases (strong and negligible) of the surface anisotropy at;the ferromagnet/air interface. The MAWs under investigation have the;form of a thin stripe of permalloy with a single row of periodically;arranged antidots in the middle. The introduction of a magnetization;pinning at the edges of the permalloy stripe and the edges of antidots;is found to modify the spin-wave spectrum. This effect is shown to be;necessary for magnonic gaps to open in the considered systems. Our study;demonstrates that the surface anisotropy can be crucial in the practical;applications of MAWs and related structures and in the interpretation of;experimental results in one-and two-dimensional magnonic crystals. We;used three different numerical methods, i.e., plane waves method (PWM),;finite difference method, and finite element method to validate the;results. We showed that PWM in the present formulation assumes pinned;magnetization, while in micromagnetic simulations special care must be;taken to introduce pinning.;Fangohr, Hans/C-6367-2008; Klos, Jaroslaw/G-9728-2012;Fangohr, Hans/0000-0001-5494-7193; Klos, Jaroslaw/0000-0002-5858-2950;13;2;0;0;13;1098-0121;WOS:000311714700002;;;J;Kolata, K.;Koester, N. S.;Chernikov, A.;Drexler, M. J.;Gatti, E.;Cecci, S.;Chrastina, D.;Isella, G.;Guzzi, M.;Chatterjee, S.;Dephasing in Ge/SiGe quantum wells measured by means of coherent;oscillations;PHYSICAL REVIEW B;86;20;201303;10.1103/PhysRevB.86.201303;NOV 30 2012;2012;We present a dephasing time analysis of the excitonic resonances in;Ge/SiGe quantum wells for various lattice temperatures by coherent;oscillation spectroscopy (COS). The results are compared to the;linewidths of the excitonic resonances determined from linear absorption;measurements. Additionally, COS is applied to different samples with;varying linewidth, identifying one sample with a dominating;homogeneously broadened 1s excitonic resonance down to 7 K.;Chatterjee, Sangam/E-3124-2012;2;0;0;0;2;1098-0121;WOS:000311715100003;;;J;Lang, Li-Jun;Chen, Shu;Majorana fermions in density-modulated p-wave superconducting wires;PHYSICAL REVIEW B;86;20;205135;10.1103/PhysRevB.86.205135;NOV 30 2012;2012;We study the p-wave superconducting wire with a periodically modulated;chemical potential and show that the Majorana edge states are robust;against the periodic modulation. We find that the critical amplitude of;modulated potential, at which the Majorana edge fermions and topological;phase disappear, strongly depends on the phase shifts. For some specific;values of the phase shift, the critical amplitude tends to infinity. The;existence of Majorana edge fermions in the open chain can be;characterized by a topological Z(2) invariant of the bulk system, which;can be applied to determine the phase boundary between the topologically;trivial and nontrivial superconducting phases. We also demonstrate the;existence of the zero-energy peak in the spectral function of the;topological superconducting phase, which is only sensitive to the open;boundary condition but robust against the disorder.;Lang, Li-Jun/C-2815-2014;Lang, Li-Jun/0000-0001-6038-8340;11;0;0;0;11;1098-0121;WOS:000311715100009;;;J;Lazicki, Amy;Dewaele, Agnes;Loubeyre, Paul;Mezouar, Mohamed;High-pressure-temperature phase diagram and the equation of state of;beryllium;PHYSICAL REVIEW B;86;17;174118;10.1103/PhysRevB.86.174118;NOV 30 2012;2012;X-ray diffraction of beryllium in a laser-heated diamond anvil cell;provides experimental insight into its behavior at high pressure and;temperature. We measure the cold compression of Be in helium and NaCl;pressure media up 192 GPa, and its thermal expansion up to 82 GPa and;2630 K. The new measurements form a P-V-T data set which is fit by the;Vinet-Debye form to establish a Be experimental equation of state. We;compare the results to several theoretical models. The crystal structure;of Be is determined up to 205 GPa and 4000 K; no evidence for the;predicted high-temperature transition to a cubic phase is found.;Finally, the maximum temperature stability of the solid phase along;isobaric heating ramps gives a lower bound for the melting curve.;5;0;0;0;5;1098-0121;WOS:000311714600002;;;J;Li, J.;Ekuma, C. E.;Vekhter, I.;Jarrell, M.;Moreno, J.;Stadler, S.;Karki, A. B.;Jin, R.;Physical properties of Ba2Mn2Sb2O single crystals;PHYSICAL REVIEW B;86;19;195142;10.1103/PhysRevB.86.195142;NOV 30 2012;2012;We report both experimental and theoretical investigations of the;physical properties of Ba2Mn2Sb2O single crystals. This material;exhibits a hexagonal structure with lattice constants a = 4.7029(15) A;and c = 19.9401(27) A, as obtained from powder x-ray diffraction;measurements, and in agreement with structural optimization through;density functional theory (DFT) calculations. The magnetic;susceptibility and specific heat show anomalies at T-N = 60 K,;consistent with antiferromagnetic ordering. However, the magnitude of;T-N is significantly smaller than the Curie-Weiss temperature (vertical;bar Theta(CW)vertical bar approximate to 560 K), suggesting a magnetic;system of reduced dimensionality. The temperature dependence of both the;in-plane and out-of-plane resistivity changes from activated at T > T-x;similar to 200 K to logarithmic at T < T-x. Correspondingly, the;magnetic susceptibility displays a bump at T-x. DFT calculations at the;DFT + U level support the experimental observation of an;antiferromagnetic ground state.;Vekhter, Ilya/M-1780-2013; Moreno, Juana/D-5882-2012;0;0;0;0;0;1098-0121;WOS:000311715000001;;;J;Mafra, D. L.;Kong, J.;Sato, K.;Saito, R.;Dresselhaus, M. S.;Araujo, P. T.;Using gate-modulated Raman scattering and electron-phonon interactions;to probe single-layer graphene: A different approach to assign phonon;combination modes;PHYSICAL REVIEW B;86;19;195434;10.1103/PhysRevB.86.195434;NOV 30 2012;2012;Gate-modulated and laser-dependent Raman spectroscopy have been widely;used to study q = 0 zone center phonon modes, their self-energy, and;their coupling to electrons in graphene systems. In this work we use;gate-modulated Raman of q not equal 0 phonons as a technique to;understand the nature of five second-order Raman combination modes;observed in the frequency range of 1700-2300 cm(-1) of single-layer;graphene (SLG). Anomalous phonon self-energy renormalization phenomena;are observed in all five combination modes within this intermediate;frequency region, which can clearly be distinguished from one another.;By combining the anomalous phonon renormalization effect with the double;resonance Raman theory, which includes both phonon dispersion relations;and angular dependence of the electron-phonon scattering matrix;elements, and by comparing it to the experimentally obtained phonon;dispersion, measured by using different laser excitation energies, we;can assign each Raman peak to the proper phonon combination mode. This;approach should also shed light on the understanding of more complex;structures such as few-layer graphene (FLG) and its stacking orders as;well as other two-dimensional (2D)-like materials.;Sato, Kentaro/B-7163-2008; Saito, Riichiro/B-1132-2008;Sato, Kentaro/0000-0001-6706-2175;;5;2;1;0;5;1098-0121;WOS:000311715000008;;;J;Mazza, Giacomo;Fabrizio, Michele;Dynamical quantum phase transitions and broken-symmetry edges in the;many-body eigenvalue spectrum;PHYSICAL REVIEW B;86;18;184303;10.1103/PhysRevB.86.184303;NOV 30 2012;2012;Many-body models undergoing a quantum phase transition to a;broken-symmetry phase that survives up to a critical temperature must;possess, in the ordered phase, symmetric as well as nonsymmetric;eigenstates. We predict, and explicitly show in the fully connected;Ising model in a transverse field, that these two classes of eigenstates;do not overlap in energy, and therefore that an energy edge exists;separating low-energy symmetry-breaking eigenstates from high-energy;symmetry-invariant ones. This energy is actually responsible, as we;show, for the dynamical phase transition displayed by this model under a;sudden large increase of the transverse field. A second situation we;consider is the opposite, where the symmetry-breaking eigenstates are;those in the high-energy sector of the spectrum, whereas the low-energy;eigenstates are symmetric. In that case too a special energy must exist;marking the boundary and leading to unexpected out-of-equilibrium;dynamical behavior. An example is the fermonic repulsive Hubbard model;Hamiltonian H. Exploiting the trivial fact that the high-energy spectrum;of H is also the low-energy one of -H, we conclude that the high-energy;eigenstates of the Hubbard model are superfluid. Simulating in a;time-dependent Gutzwiller approximation the time evolution of a;high-energy BCS-like trial wave function, we show that a small;superconducting order parameter will actually grow in spite of the;repulsive nature of the interaction.;fabrizio, michele/N-3762-2014;2;0;0;0;2;1098-0121;WOS:000311714700001;;;J;Mueller, T.;Aharonovich, I.;Wang, Z.;Yuan, X.;Castelletto, S.;Prawer, S.;Atatuere, M.;Phonon-induced dephasing of chromium color centers in diamond;PHYSICAL REVIEW B;86;19;195210;10.1103/PhysRevB.86.195210;NOV 30 2012;2012;We report on the coherence properties of single photons from;chromium-based color centers in diamond. We use field-correlation and;spectral line-shape measurements to reveal the interplay between slow;spectral wandering and fast dephasing mechanisms as a function of;temperature. The zero-phonon transition frequency and its linewidth;follow a power-law dependence on temperature, which is consistent with;direct electron-phonon coupling and phonon-modulated Coulomb coupling to;nearby impurities, which are the predominant fast dephasing mechanisms;for these centers. Further, the observed reduction in the quantum yield;for photon emission as a function of temperature suggests the opening of;additional nonradiative channels through thermal activation to;higher-energy states and indicates a near-unity quantum efficiency at 4;K.;castelletto, stefania/G-1516-2011; McKenzie, Warren/J-2137-2014;3;0;0;0;3;1098-0121;WOS:000311715000007;;;J;Murthy, Ganpathy;Shankar, R.;Hamiltonian theory of fractionally filled Chern bands;PHYSICAL REVIEW B;86;19;195146;10.1103/PhysRevB.86.195146;NOV 30 2012;2012;There is convincing numerical evidence that fractional quantum-Hall-like;ground states arise in fractionally filled Chern bands. Here, we show;that the Hamiltonian theory of composite fermions (CF) can be as useful;in describing these states as it was in describing the fractional;quantum Hall effect (FQHE) in the continuum. We are able to introduce;CFs into the fractionally filled Chern-band problem in two stages.;First, we construct an algebraically exact mapping which expresses the;electron density projected to the Chern band rho(FCB) as a sum of;Girvin-MacDonald-Platzman density operators rho(GMP) that obey the;magnetic translation algebra. Next, following our Hamiltonian treatment;of the FQH problem, we rewrite the operators rho(GMP) in terms of CF;variables which reproduce the same algebra. This naturally produces a;unique Hartree-Fock ground state for the CFs, which can be used as a;springboard for computing gaps, response functions,;temperature-dependent phenomena, and the influence of disorder. We give;two concrete examples, one of which has no analog in the continuum FQHE;with nu = 1/5 and sigma(xy) = 2/5. Our approach can be easily extended;to fractionally filled, strongly interacting two-dimensional;time-reversal-invariant topological insulators.;15;0;0;0;15;1098-0121;WOS:000311715000005;;;J;Ovsyannikov, Sergey V.;Morozova, Natalia V.;Karkin, Alexander E.;Shchennikov, Vladimir V.;High-pressure cycling of hematite alpha-Fe2O3: Nanostructuring, in situ;electronic transport, and possible charge disproportionation;PHYSICAL REVIEW B;86;20;205131;10.1103/PhysRevB.86.205131;NOV 30 2012;2012;We studied electronic transport properties of hematite (alpha-Fe2O3) at;room temperature under cycling of high pressure up to similar to 22 GPa.;The original samples and those recovered after high-pressure experiments;were examined by x-ray diffraction and Raman and optical absorption;spectroscopy. At ambient pressure the original samples were also;characterized by temperature measurements of electrical and;galvanomagnetic properties. Upon compression, the original single;crystals underwent a sluggish structural deconfinement starting above 5;GPa into a nanometric state. Above 5-7 GPa, the nanostructured hematite;showed a reversible transition to a state with enhanced electrical;conductivity and moderate values of thermoelectric power (Seebeck;effect) of about -150 mu V/K. This electronic phase corresponds to;neither conventional trivalent oxidation state of the iron ions in;hematite nor metallic conductivity. Analysis of the electronic transport;data in the frameworks of two models, of polaron hopping, and of;intrinsic semiconductor conductivity, revealed a change from the;electron conductivity to two-band electrical conductivity and suggested;that the observed enhancement of the electrical properties in;nanocrystalline alpha-Fe2O3 above 5-7 GPa is related to the;mixed-valence state of the iron ions. Since alpha-Fe2O3 is believed to;undergo a "spin-flop" (Morin) transition near 2-5 GPa at room;temperature, we discuss potential contributions of magnetoelastic and;other effects to the observed high-pressure properties of hematite.;Ovsyannikov, Sergey/J-7802-2012; Morozova, Natalia/J-3568-2013; Karkin, Alexander/J-6712-2013; Shchennikov, Vladimir/J-8533-2013;Morozova, Natalia/0000-0002-2377-1372; Karkin,;Alexander/0000-0003-0464-4762; Shchennikov, Vladimir/0000-0003-2887-1652;4;0;0;0;4;1098-0121;WOS:000311715100005;;;J;Pielawa, Susanne;Berg, Erez;Sachdev, Subir;Frustrated quantum Ising spins simulated by spinless bosons in a tilted;lattice: From a quantum liquid to antiferromagnetic order;PHYSICAL REVIEW B;86;18;184435;10.1103/PhysRevB.86.184435;NOV 30 2012;2012;We study spinless bosons in a decorated square lattice with a;near-diagonal tilt. The resonant subspace of the tilted Mott insulator;is described by an effective Hamiltonian of frustrated quantum Ising;spins on a nonbipartite lattice. This generalizes an earlier proposal;for the unfrustrated quantum Ising model in one dimension which was;realized in a recent experiment on ultracold Rb-87 atoms in an optical;lattice. Very close to diagonal tilt, we find a quantum liquid state;which is continuously connected to the paramagnet. Frustration can be;reduced by increasing the tilt angle away from the diagonal, and the;system undergoes a transition to an antiferromagnetically ordered state.;Using quantum Monte Carlo simulations and exact diagonalization, we find;that for realistic system sizes the antiferromagnetic order appears to;be quasi-one-dimensional, however, in the thermodynamic limit the order;is two-dimensional.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;1;0;0;0;1;1098-0121;WOS:000311714700004;;;J;Popov, V. V.;Polischuk, O. V.;Davoyan, A. R.;Ryzhii, V.;Otsuji, T.;Shur, M. S.;Plasmonic terahertz lasing in an array of graphene nanocavities;PHYSICAL REVIEW B;86;19;195437;10.1103/PhysRevB.86.195437;NOV 30 2012;2012;We propose a novel concept of terahertz lasing based on stimulated;generation of plasmons in a planar array of graphene resonant;micro/nanocavities strongly coupled to terahertz radiation. Due to the;strong plasmon confinement and superradiant nature of terahertz emission;by the array of plasmonic nanocavities, the amplification of terahertz;waves is enhanced by many orders of magnitude at the plasmon resonance;frequencies. We show that the lasing regime is ensured by the balance;between the plasmon gain and plasmon radiative damping.;Davoyan, Artur/K-8567-2013;Davoyan, Artur/0000-0002-4662-1158;15;0;0;0;15;1098-0121;WOS:000311715000011;;;J;Romanov, Sergei G.;Vogel, Nicolas;Bley, Karina;Landfester, Katharina;Weiss, Clemens K.;Orlov, Sergej;Korovin, Alexander V.;Chuiko, Gennady P.;Regensburger, Alois;Romanova, Alexandra S.;Kriesch, Arian;Peschel, Ulf;Probing guided modes in a monolayer colloidal crystal on a flat metal;film;PHYSICAL REVIEW B;86;19;195145;10.1103/PhysRevB.86.195145;NOV 30 2012;2012;Two-dimensional slab hybrid metal-dielectric photonic crystals, which;are prepared by assembling polymer colloidal spheres into closely packed;monolayers of hexagonal symmetry on a gold-coated glass substrate, show;an improved confinement of light compared with a colloidal monolayer on;a glass substrate. We demonstrated that the optical response of such;hybrid crystals consists of diffractively coupled waveguiding modes,;Fabry-Perot resonances, and Mie resonances. Correspondingly, two major;mechanisms, namely, band transport and hopping of localized excitations,;participate in the in-plane light transport in such hybrid crystals.;Weiss, Clemens/C-9932-2009; Peschel, Ulf/C-3356-2013; Romanov, Sergei/H-6868-2013; Kriesch, Arian/A-7337-2011;Weiss, Clemens/0000-0001-8559-0385; Romanov, Sergei/0000-0003-0546-9505;;Kriesch, Arian/0000-0002-8347-0344;6;1;0;0;6;1098-0121;WOS:000311715000004;;;J;Schoop, Leslie;Muechler, Lukas;Schmitt, Jennifer;Ksenofontov, Vadim;Medvedev, Sergey;Nuss, Juergen;Casper, Frederick;Jansen, Martin;Cava, R. J.;Felser, Claudia;Effect of pressure on superconductivity in NaAlSi;PHYSICAL REVIEW B;86;17;174522;10.1103/PhysRevB.86.174522;NOV 30 2012;2012;The ternary superconductor NaAlSi, isostructural with LiFeAs, the "111";iron pnictide superconductor, is investigated under pressure. The;structure remains stable up to 15 GPa. Resistivity and susceptibility;measurements show an increase of T-c up to 2 GPa, followed by a decrease;until superconductivity disappears at 4.8 GPa. Band structure;calculations show that pressure should have a negligible effect on the;electronic structure and the Fermi surface and thus the disappearance of;superconductivity under pressure must have a different origin. We;compare the electronic structure of NaAlSi under pressure with that of;nonsuperconducting isostructural NaAlGe.;Felser, Claudia/A-5779-2009; Casper, Frederick/A-5782-2009; Nuss, Juergen/G-2711-2010; Muchler, Lukas/A-4628-2013; Schoop, Leslie/A-4627-2013;Nuss, Juergen/0000-0002-0679-0184; Schoop, Leslie/0000-0003-3459-4241;1;0;0;0;1;1098-0121;WOS:000311714600006;;;J;Schwier, E. F.;Scherwitzl, R.;Vydrova, Z.;Garcia-Fernandez, M.;Gibert, M.;Zubko, P.;Garnier, M. G.;Triscone, J. -M.;Aebi, P.;Unusual temperature dependence of the spectral weight near the Fermi;level of NdNiO3 thin films;PHYSICAL REVIEW B;86;19;195147;10.1103/PhysRevB.86.195147;NOV 30 2012;2012;We investigate the behavior of the spectral weight near the Fermi level;of NdNiO3 thin films as a function of temperature across the;metal-to-insulator transition (MIT) by means of ultraviolet;photoelectron spectroscopy. The spectral weight was found to exhibit;thermal hysteresis, similar to that of the dc conductivity. A detailed;analysis of the temperature dependence reveals two distinct regimes of;spectral loss close to the Fermi level. The temperature evolution of one;regime is found to be independent of the MIT.;Garcia-Fernandez, Mirian/B-6018-2013; Zubko, Pavlo/B-5496-2009;Zubko, Pavlo/0000-0002-7330-3163;2;0;0;0;2;1098-0121;WOS:000311715000006;;;J;Sen, Arnab;Damle, Kedar;Moessner, R.;Vacancy-induced spin textures and their interactions in a classical spin;liquid;PHYSICAL REVIEW B;86;20;205134;10.1103/PhysRevB.86.205134;NOV 30 2012;2012;Motivated by experiments on the archetypal frustrated magnet;SrCr9pGa12-9pO19 (SCGO), we study the classical Heisenberg model on the;pyrochlore slab (kagome bilayer) lattice with site dilution x = 1 - p.;This allows us to address generic aspects of the physics of nonmagnetic;vacancies in a classical spin liquid. We explicitly demonstrate that the;pure (x = 0) system remains a spin liquid down to the lowest;temperatures, with an unusual nonmonotonic temperature dependence of the;susceptibility, which even turns diamagnetic for the apical spins;between the two kagome layers. For x > 0 but small, the low-temperature;magnetic response of the system is most naturally described in terms of;the properties of spatially extended spin textures that cloak an;"orphan" S = 3/2 Cr3+ spin in direct proximity to a pair of missing;sites belonging to the same triangular simplex. In the T -> 0 limit,;these orphan-texture complexes each carry a net magnetization that is;exactly half the magnetic moment of an individual spin of the undiluted;system. Furthermore, we demonstrate that they interact via an entropic;temperature-dependent pairwise exchange interaction J(eff) (T,(r) over;right arrow) similar to T J ((r) over right arrow root T) that has a;logarithmic form at short distances and decays exponentially beyond a;thermal correlation length xi(T) similar to 1/root T. The sign of J(eff);depends on whether the two orphan spins belong to the same kagome layer;or not. We provide a detailed analytical account of these properties;using an effective field theory approach specifically tailored for the;problem at hand. These results are in quantitative agreement with;large-scale Monte Carlo numerics.;3;1;0;0;3;1098-0121;WOS:000311715100008;;;J;Solanki, Ravindra Singh;Mishra, S. K.;Senyshyn, Anatoliy;Ishii, I.;Moriyoshi, Chikako;Suzuki, Takashi;Kuroiwa, Yoshihiro;Pandey, Dhananjai;Antiferrodistortive phase transition in pseudorhombohedral;(Pb0.94Sr0.06)( Zr0.550Ti0.450)O-3: A combined synchrotron x-ray and;neutron powder diffraction study;PHYSICAL REVIEW B;86;17;174117;10.1103/PhysRevB.86.174117;NOV 30 2012;2012;The controversies about the structure of the true ground state of;pseudorhombohedral compositions of Pb(ZrxTi1-x)O-3 (PZT) are addressed;using a 6% Sr2+ substituted sample with x = 0.550. Sound velocity;measurements reveal a phase transition at T-c similar to 279 K. The;temperature dependence of full width at half maximum of (h00)(pc) peaks;and the unit cell volume also show anomalies around 279 K even though;there is no indication of any change of space group in the synchrotron;x-ray powder diffraction (SXRD) patterns. The neutron powder diffraction;patterns reveal appearance of superlattice peaks below T-c similar to;279 K, confirming the existence of an antiferrodistortive phase;transition. The Rietveld analysis of the room-temperature and;low-temperature SXRD data below T-c shows that the structure corresponds;to single monoclinic phase in the Cm space group while the analysis of;neutron powder diffraction data reveals that the structure of the;ground-state phase below T-c corresponds to the Cc space group. Our;analysis shows that the structural models for the ground-state phase;based on the R3c space group with or without the coexistence of the;room-temperature monoclinic phase in the Cm space group can be rejected.;SOLANKI, RAVINDRA /H-7221-2013; Senyshyn, Anatoliy/C-8267-2014;Senyshyn, Anatoliy/0000-0002-1473-8992;3;0;0;0;3;1098-0121;WOS:000311714600001;;;J;Steinke, N. -J.;Moore, T. A.;Mansell, R.;Bland, J. A. C.;Barnes, C. H. W.;Nonuniversal dynamic magnetization reversal in the Barkhausen-dominated;and mesofrequency regimes;PHYSICAL REVIEW B;86;18;184434;10.1103/PhysRevB.86.184434;NOV 30 2012;2012;Dynamic magnetization reversal in the mesofrequency range is studied by;ac magneto-optical Kerr effect (ac-MOKE) and ac anisotropic;magnetoresistance (ac-AMR) magnetometry in a series of epitaxial and;polycrystalline thin magnetic films. The dynamic coercive field was;found to scale as a power law with scaling exponents <= 1/2 depending on;the ferromagnetic material. In addition, there is a low sweep rate;regime in which the dynamic coercivity reaches a minimum. These findings;are explained in the context of reversal proceeding by motion of a few;domain walls (similar to 1). At dc and low field sweep rates the;reversal proceeds between local pinning sites via Barkhausen avalanches;and the overall reversal speed is strongly dependent on the field sweep;rate. At higher field sweep rates a continuous motion regime is entered;in which the reversal velocity depends linearly on the applied field;sweep rate and only an average pinning force is experienced by the wall.;The fit of the dynamic coercivity vs applied field sweep rate allows the;determination of the average nonlocal pinning field. The nonuniversal;scaling exponent can be explained using recently developed models and;introducing a field rate-dependent number of active domain walls.;Mansell, Rhodri/A-1450-2013;2;0;0;0;2;1098-0121;WOS:000311714700003;;;J;Stoffel, M.;Fagot-Revurat, Y.;Tejeda, A.;Kierren, B.;Nicolaou, A.;Le Fevre, P.;Bertran, F.;Taleb-Ibrahimi, A.;Malterre, D.;Electron-phonon coupling on strained Ge/Si(111)-(5x5) surfaces;PHYSICAL REVIEW B;86;19;195438;10.1103/PhysRevB.86.195438;NOV 30 2012;2012;We investigate the structural and electronic properties of strained;Ge/Si(111)-(5 x 5) surfaces by means of scanning tunneling microscopy;and high-resolution angle-resolved photoemission spectroscopy. The;homogeneous (5 x 5) reconstructed overlayers are characterized by three;electronic surface states, similar to the Si(111)-(7 x 7) surface. The;dispersion of the dangling bond related surface state exhibits the same;periodicity as that of the (5 x 5) reconstruction. Moreover, a careful;analysis of the shape and width of this surface state provides striking;evidence of electron-phonon coupling at low temperatures. By considering;the spectral function within a simple Debye model, we determine both the;Debye energy and the electron-phonon coupling strength. The latter value;is further confirmed by analyzing the temperature-dependent phonon;broadening of the dangling bond related surface state linewidth.;BERTRAN, Francois/B-7515-2008; Tejeda, Antonio/C-4711-2014;BERTRAN, Francois/0000-0002-2416-0514; Tejeda,;Antonio/0000-0003-0125-4603;1;0;0;0;1;1098-0121;WOS:000311715000012;;;J;Turek, I.;Kudrnovsky, J.;Carva, K.;Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from;ab initio alloy theory;PHYSICAL REVIEW B;86;17;174430;10.1103/PhysRevB.86.174430;NOV 30 2012;2012;We present results of systematic fully relativistic first-principles;calculations of the uniaxial magnetic anisotropy energy (MAE) of a;disordered and partially ordered tetragonal Fe-Co alloy using the;coherent potential approximation (CPA). This alloy has recently become a;promising system for thin ferromagnetic films with a perpendicular;magnetic anisotropy. We find that existing theoretical approaches to;homogeneous random bulk Fe-Co alloys, based on a simple virtual crystal;approximation (VCA), overestimate the maximum MAE values obtained in the;CPA by a factor of 4. This pronounced difference is ascribed to the;strong disorder in the minority spin channel of real alloys, which is;neglected in the VCA and which leads to a broadening of the d-like;eigenstates at the Fermi energy and to the reduction of the MAE. The;ordered Fe-Co alloys with a maximum L1(0)-like atomic long-range order;can exhibit high values of the MAE, which, however, get dramatically;reduced by small perturbations of the perfect order.;Carva, Karel/A-3703-2008; Turek, Ilja/G-5553-2014; KUDRNOVSKY, Josef/G-5581-2014;KUDRNOVSKY, Josef/0000-0002-9968-6748;10;0;0;0;10;1098-0121;WOS:000311714600004;;;J;Uppstu, Andreas;Harju, Ari;High-field magnetoresistance revealing scattering mechanisms in graphene;PHYSICAL REVIEW B;86;20;201409;10.1103/PhysRevB.86.201409;NOV 30 2012;2012;We show that the type of charge carrier scattering significantly affects;the high-field magnetoresistance of graphene nanoribbons. This effect;has the potential to be used in identifying the scattering mechanisms in;graphene. The results also provide an explanation for the experimentally;found, intriguing differences in the behavior of the magnetoresistance;of graphene Hall bars placed on different substrates. Additionally, our;simulations indicate that the peaks in the longitudinal resistance tend;to become pinned to fractionally quantized values, as different;transport modes have very different scattering properties.;Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;1;0;0;0;1;1098-0121;WOS:000311715100004;;;J;White, Alexander J.;Sukharev, Maxim;Galperin, Michael;Molecular nanoplasmonics: Self-consistent electrodynamics in;current-carrying junctions;PHYSICAL REVIEW B;86;20;205324;10.1103/PhysRevB.86.205324;NOV 30 2012;2012;We consider a biased molecular junction subjected to an external;time-dependent electromagnetic field. We discuss local field formation;due to both surface plasmon-polariton excitations in the contacts and;the molecular response. Employing realistic parameters we demonstrate;that such self-consistent treatment is crucial for the proper;description of the junction transport characteristics.;White, Alexander/D-8754-2014;White, Alexander/0000-0002-7771-3899;3;0;0;0;3;1098-0121;WOS:000311715100010;;;J;Wierschem, Keola;Kato, Yasuyuki;Nishida, Yusuke;Batista, Cristian D.;Sengupta, Pinaki;Magnetic and nematic orderings in spin-1 antiferromagnets with;single-ion anisotropy;PHYSICAL REVIEW B;86;20;201108;10.1103/PhysRevB.86.201108;NOV 30 2012;2012;We study a spin-1 Heisenberg model with exchange interaction J, uniaxial;single-ion exchange anisotropy D, and Zeeman coupling to a magnetic;field B parallel to the symmetry axis. We compute the (D/J, B/J) quantum;phase diagram for square and simple cubic lattices by combining;analytical and quantum Monte Carlo approaches, and find a transition;between XY antiferromagnetic and ferronematic phases that spontaneously;break the U(1) symmetry of the model. In the language of bosonic gases,;this is a transition between a Bose-Einstein condensate (BEC) of single;bosons and a BEC of pairs. Our work opens up new avenues for measuring;this transition in real magnets.;8;0;0;0;8;1098-0121;WOS:000311715100001;;;J;Wu, Chien-Te;Valls, Oriol T.;Halterman, Klaus;Proximity effects in conical-ferromagnet/superconductor bilayers;PHYSICAL REVIEW B;86;18;184517;10.1103/PhysRevB.86.184517;NOV 30 2012;2012;We present a study of various aspects of proximity effects in F/S;(ferromagnet/superconductor) bilayers, where F has a spiral magnetic;texture such as that found in holmium, erbium, and other materials, and;S is a conventional s-wave superconductor. We numerically solve the;Bogoliubov-de Gennes (BdG) equations self-consistently and use the;solutions to compute physical quantities relevant to the proximity;effects in these bilayers. We obtain the relation between the;superconducting transition temperature T-c and the thicknesses d(F) of;the magnetic layer by solving the linearized BdG equations. We find that;the T-c (d(F)) curves include multiple oscillations. Moreover, the;system may be reentrant not only with d(F), as is the case when the;magnet is uniform, but also with temperature T : the superconductivity;disappears in certain ranges of d(F) or T. The T reentrance reported;here occurs when d(F) is larger than the spatial period of the conical;exchange field. We compute the condensation free energies and entropies;from the full BdG equations and find the results are in agreement with;T-c values obtained by linearization. The inhomogeneous nature of the;magnet makes it possible for all odd triplet pairing components to be;induced. We have investigated their properties and found that, as;compared to the singlet amplitude, both the m = 0 and +/- 1 triplet;components exhibit long-range penetration. For nanoscale bilayers, the;proximity lengths for both layers are also obtained. These lengths;oscillate with d(F) and they are found to be long range on both sides.;These results are shown to be consistent with recent experiments. We;also calculate the reverse proximity effect described by the;three-dimensional local magnetization, and the local density of states,;which reveals important energy-resolved signatures associated with the;proximity effects.;6;0;0;0;6;1098-0121;WOS:000311714700005;;;J;Altarelli, M.;Kurta, R. P.;Vartanyants, I. A.;X-ray cross-correlation analysis and local symmetries of disordered;systems: General theory (vol 82, 104207, 2010);PHYSICAL REVIEW B;86;17;179904;10.1103/PhysRevB.86.179904;NOV 29 2012;2012;1;0;0;0;1;1098-0121;WOS:000311693600006;;;J;Beheshtian, J.;Sadeghi, A.;Neek-Amal, M.;Michel, K. H.;Peeters, F. M.;Induced polarization and electronic properties of carbon-doped boron;nitride nanoribbons;PHYSICAL REVIEW B;86;19;195433;10.1103/PhysRevB.86.195433;NOV 29 2012;2012;The electronic properties of boron nitride nanoribbons (BNNRs) doped;with a line of carbon atoms are investigated using density functional;calculations. By replacing a line of alternating B and N atoms with;carbons, three different configurations are possible depending on the;type of the atoms which bond to the carbons. We found very different;electronic properties for these configurations: (i) the NCB arrangement;is strongly polarized with a large dipole moment having an unexpected;direction, (ii) the BCB and NCN arrangements are nonpolar with zero;dipole moment, (iii) the doping by a carbon line reduces the band gap;regardless of the local arrangement of the borons and the nitrogens;around the carbon line, and (iv) the polarization and energy gap of the;carbon-doped BNNRs can be tuned by an electric field applied parallel to;the carbon line. Similar effects were found when either an armchair or;zigzag line of carbon was introduced.;Sadeghi, Ali/D-1554-2013;8;0;0;0;8;1098-0121;WOS:000311694200006;;;J;Chi, Hang;Kim, Hyoungchul;Thomas, John C.;Su, Xianli;Stackhouse, Stephen;Kaviany, Massoud;Van der Ven, Anton;Tang, Xinfeng;Uher, Ctirad;
19:3:5:10     Thermoelectric Properties of Trisubstituted Skutterudite Co4Sb11Ge1-x-yTexSey Compounds
DOI:10.1007/s11664-011-1841-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Duan, Bo;Zhai, Pengcheng;Liu, Lisheng;Zhang, Qingjie;
19:3:5:11     Dynamics of coherent acoustic phonons in thin films of CoSb3 and partially filled YbxCo4Sb12 skutterudites
DOI:10.1103/PhysRevB.89.174303  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: He, Chuan;Daniel, Marcus;Grossmann, Martin;Ristow, Oliver;Brick, Delia;Schubert, Martin;Albrecht, Manfred;Dekorsy, Thomas;
19:3:5:12     Effects of Double Substitution with Ge and Te on Thermoelectric Properties of a Skutterudite Compound
DOI:10.1007/s11664-010-1457-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:8  AU: Duan, Bo;Zhai, Pengcheng;Liu, Lisheng;Zhang, Qingjie;
19:3:5:13     Creation of Yb2O3 Nanoprecipitates Through an Oxidation Process in Bulk Yb-Filled Skutterudites
DOI:10.1007/s11664-012-2370-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Ding, Juan;Gu, Hui;Qiu, Pengfei;Chen, Xihong;Xiong, Zhen;Zheng, Qiang;Shi, Xun;Chen, Lidong;
19:3:5:14     Realizing phase segregation in the Ba-0.2(Co1-xIrx)(4)Sb-12 (x=0, 0.1, 0.2) filled skutterudite system
DOI:10.1016/j.scriptamat.2009.09.028  JN:SCRIPTA MATERIALIA  PY:2010
  TC:7  AU: Xiong, Zhen;Huang, Xiangyang;Chen, Xihong;Ding, Juan;Chen, Lidong;
19:3:5:15     Effects of Synthesis Temperature on the Microstructure and Thermoelectric Properties of Te-Se Codoped Skutterudites
DOI:10.1007/s11664-013-2824-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Ding, Shijie;Duan, Bo;Xu, Chenglong;Li, Yao;Liu, Lisheng;Zhai, Pengcheng;
19:3:6:1     Enhancement of thermoelectric figure of merit in binary-phased La0.3Ce0.37Fe3CoS12-PbTe materials
DOI:10.1016/j.jallcom.2013.01.038  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:4  AU: Lu, Peng-Xian;Qu, Ling-Bo;Cheng, Qiao-Huan;
19:3:6:2     Thermoelectric Properties of Triple-Filled BaxYbyInzCo4Sb12 Skutterudites
DOI:10.1007/s11664-010-1454-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:19  AU: Ballikaya, Sedat;Wang, Guoyu;Sun, Kai;Uher, Ctirad;
19:3:6:3     High-Temperature Thermoelectric Properties of Co4Sb12-Based Skutterudites with Multiple Filler Atoms: Ce0.1In (x) Yb (y) Co4Sb12
DOI:10.1007/s11664-011-1514-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:23  AU: Graff, Jennifer;Zhu, Song;Holgate, Tim;Peng, Jiangying;He, Jian;Tritt, Terry M.;
19:3:6:4     Enhanced thermoelectric performance of optimized Ba, Yb filled and Fe substituted skutterudite compounds
DOI:10.1016/j.jallcom.2013.09.124  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:11  AU: Ballikaya, Sedat;Uher, Ctirad;
19:3:6:5     Enhancement of thermoelectric properties of CoSb3-based skutterudites by double filling of Tl and In
DOI:10.1063/1.4748340  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:6  AU: Harnwunggmoung, Adul;Kurosaki, Ken;Kosuga, Atsuko;Ishimaru, Manabu;Plirdpring, Theerayuth;Yimnirun, Rattikorn;Jutimoosik, Jaru;Rujirawat, Saroj;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:3:6:6     Synthesis and thermoelectric properties of In0.2+xCo4Sb12+x composite
DOI:10.1016/j.jallcom.2012.01.093  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:9  AU: Peng, Jiangying;Liu, Xiaoyan;Fu, Liangwei;Xu, Wei;Liu, Qiongzhen;Yang, Junyou;
19:3:6:7     Lower Thermal Conductivity and Higher Thermoelectric Performance of Fe-Substituted and Ce, Yb Double-Filled p-Type Skutterudites
DOI:10.1007/s11664-012-2357-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:5  AU: Ballikaya, Sedat;Uzar, Neslihan;Yildirim, Saffettin;Chi, Hang;Su, Xianli;Tan, Gangjian;Tang, Xinfeng;Uher, Ctirad;
19:3:6:8     Thermoelectric properties and Kondo behavior in indium incorporated p-type Ce0.9Fe3.5Ni0.5Sb12 skutterudites
DOI:10.1063/1.4740072  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Puneet, Pooja;He, Jian;Zhu, Song;Tritt, Terry M.;
19:3:6:9     Improvement of thermoelectric performance for Te-doped CoSb3 by higher synthesis pressure
DOI:10.1016/j.jallcom.2014.03.017  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Deng, L.;Wang, L. B.;Jia, X. P.;Ma, H. A.;Qin, J. M.;Wan, Y. C.;
19:3:6:10     Charge-Compensated n-Type Skutterudites
DOI:10.1007/s11664-009-0990-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:13  AU: Uher, Ctirad;Li, Chang-Peng;Ballikaya, Sedat;
19:3:6:11     Effect of In Impurity on Thermoelectric Properties of Ba and In Double-Filled n-Type Skutterudite Materials
DOI:10.1007/s11664-012-2021-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Yu, Jian;Zhao, Wen-Yu;Yang, Xuan;Wei, Ping;Tang, Ding-Guo;Zhang, Qing-Jie;
19:3:7:1     Rapid preparation of CeFe4Sb12 skutterudite by melt spinning: rich nanostructures and high thermoelectric performance
DOI:10.1039/c3ta13024j  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:17  AU: Tan, Gangjian;Liu, Wei;Wang, Shanyu;Yan, Yonggao;Li, Han;Tang, Xinfeng;Uher, Ctirad;
19:3:7:2     Enhanced thermoelectric properties of Ba-filled skutterudites by grain size reduction and Ag nanoparticle inclusion
DOI:10.1039/c2jm15010g  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:17  AU: Zhou, Xiaoyuan;Wang, Guoyu;Zhang, Long;Chi, Hang;Su, Xianli;Sakamoto, Jeff;Uher, Ctirad;
19:3:7:3     The role of Ga in Ba0.30GaxCo4Sb12+x filled skutterudites
DOI:10.1039/c2jm31677c  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:11  AU: Su, Xianli;Li, Han;Yan, Yonggao;Chi, Hang;Tang, Xinfeng;Zhang, Qingjie;Uher, Ctirad;
19:3:7:4     Hierarchically structured TiO2 for Ba-filled skutterudite with enhanced thermoelectric performance
DOI:10.1039/c4ta05285d  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:2  AU: Zhou, Xiaoyuan;Wang, Guiwen;Guo, Lijie;Chi, Hang;Wang, Guoyu;Zhang, Qifeng;Chen, Changqiang;Thompson, Travis;Sakamoto, Jeff;Dravid, Vinayak P.;Cao, Guozhong;Uher, Ctirad;
19:3:7:5     Low thermal conductivity and rapid synthesis of n-type cobalt skutterudite via a hydrothermal method
DOI:10.1039/c4tc00260a  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2014
  TC:4  AU: Gharleghi, Ahmad;Pai, Yi-Hsuan;Lin, Fei-Hung;Liu, Chia-Jyi;
19:3:7:6     Low-temperature soft-chemical synthesis and thermoelectric properties of barium-filled p-type skutterudite nanocrystals
DOI:10.1016/j.mssp.2014.07.052  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2014
  TC:0  AU: Banik, Ananya;Biswas, Kanishka;
19:3:7:7     Rapid fabrication and transport properties of n-type Co4-xNixSb12 via modified polyol process synthesis combined with evacuated-and-encapsulated sintering
DOI:10.1016/j.jallcom.2014.01.020  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Gharleghi, Ahmad;Liu, Chia-Jyi;
19:3:8:1     In (y) Co4Sb12 Skutterudite: Phase Equilibria and Crystal Structure
DOI:10.1007/s11664-013-2679-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:11  AU: Grytsiv, A.;Rogl, P.;Michor, H.;Bauer, E.;Giester, G.;
19:3:8:2     Rattler-seeded InSb nanoinclusions from metastable indium-filled In0.1Co4Sb12 skutterudites for high-performance thermoelectrics
DOI:10.1016/j.actamat.2011.12.028  JN:ACTA MATERIALIA  PY:2012
  TC:16  AU: Eilertsen, J.;Rouvimov, S.;Subramanian, M. A.;
19:3:8:3     Fracture toughness of Co4Sb12 and In0.1Co4Sb12 thermoelectric skutterudites evaluated by three methods
DOI:10.1016/j.jallcom.2012.11.066  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:13  AU: Eilertsen, James;Subramanian, M. A.;Kruzic, J. J.;
19:3:8:4     Thermoelectric nanocomposite from the metastable void filling in caged skutterudite
DOI:10.1557/jmr.2011.90  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:8  AU: Xiong, Zhen;Xi, Lili;Ding, Juan;Chen, Xihong;Huang, Xiangyang;Gu, Hui;Chen, Lidong;Zhang, Wenqing;
19:3:8:5     Thermoelectric and structural properties of high-performance In-based skutterudites for high-temperature energy recovery
DOI:10.1557/jmr.2011.163  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:9  AU: Biswas, Krishnendu;Good, Morris S.;Roberts, Kamandi C.;Subramanian, M. A.;Hendricks, Terry J.;
19:3:8:6     Synthesis and Thermoelectric Properties of InzCo4-xFexSb12 Skutterudites
DOI:10.1007/s11664-010-1188-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:6  AU: Park, Kwan-Ho;Jung, Jae-Yong;Ur, Soon-Chul;Kim, Il-Ho;
19:3:8:7     Ab initio study of native point-defects in CoSb3: Understanding off-stoichiometric doping properties
DOI:10.1103/PhysRevB.81.085206  JN:PHYSICAL REVIEW B  PY:2010
  TC:5  AU: Park, Chan-Hyun;Kim, Yong-Sung;
19:3:8:8     Thermoelectric properties of indium-filled InxRh4Sb12 skutterudites
DOI:10.1016/j.jallcom.2011.03.057  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:6  AU: Eilertsen, James;Li, Jun;Rouvimov, Sergei;Subramanian, M. A.;
19:3:8:9     Thermal Stability of Barium and Indium Double-Filled Skutterudite Ba0.3In0.2Co3.95Ni0.05Sb12 Coated by SiO2 Nanoparticles
DOI:10.1007/s11664-010-1116-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:8  AU: Wei, Ping;Zhao, Wen-Yu;Dong, Chun-Lei;Ma, Bing;Zhang, Qing-Jie;
19:3:8:10     High-Temperature Stability of Thermoelectric Skutterudite In0.25Co3FeSb12
DOI:10.1007/s11664-011-1889-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Park, Kwan-Ho;You, Sin-Wook;Ur, Soon-Chul;Kim, Il-Ho;Choi, Soon-Mok;Seo, Won-Seon;
19:3:8:11     Thermal Cycling Effects on the Thermoelectric Properties of n-Type In,Ce-Based Skutterudite Compounds
DOI:10.1007/s11664-012-1975-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Biswas, Krishnendu;Subramanian, M. A.;Good, Morris S.;Roberts, Kamandi C.;Hendricks, Terry J.;
19:3:8:12     Atomic and Electronic Structures of Co-Related Point Defects in CoSb3
DOI:10.1007/s11664-010-1469-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:2  AU: Park, Chan-Hyun;Kim, Yong-Sung;
19:3:9:1     High thermoelectric performance of Yb0.26Co4Sb12/yGaSb nanocomposites originating from scattering electrons of low energy
DOI:10.1016/j.actamat.2010.03.025  JN:ACTA MATERIALIA  PY:2010
  TC:72  AU: Xiong, Zhen;Chen, Xihong;Huang, Xiangyang;Bai, Shengqiang;Chen, Lidong;
19:3:9:2     Structural modifications and non-monotonic carrier concentration in Bi2Se0.3Te2.7 by reversible electrochemical lithium reactions
DOI:10.1016/j.actamat.2012.11.028  JN:ACTA MATERIALIA  PY:2013
  TC:1  AU: Chen, Jikun;Zhou, Xiaoyuan;Uher, Ctirad;Shi, Xun;Jun, Jin;Dong, Hongliang;Li, Yulong;Zhou, Yanfei;Wen, Zhaoyin;Chen, Lidong;
19:3:9:3     A study of Yb0.2Co4Sb12-AgSbTe2 nanocomposites: simultaneous enhancement of all three thermoelectric properties
DOI:10.1039/c3ta13729e  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:9  AU: Peng, Jiangying;Fu, Liangwei;Liu, Qiongzhen;Liu, Ming;Yang, Junyou;Hitchcock, Dale;Zhou, Menghan;He, Jian;
19:3:9:4     Utilizing the phonon glass electron crystal concept to improve the thermoelectric properties of combined Yb-stuffed and Te-substituted CoSb3
DOI:10.1016/j.scriptamat.2013.10.021  JN:SCRIPTA MATERIALIA  PY:2014
  TC:1  AU: Khaliq, Jibran;Jiang, Qinghui;Yang, Junyou;Simpson, Kevin;Yan, Haixue;Reece, Michael J.;
19:3:9:5     High-Temperature Thermoelectric Properties of p-Type Yb-Filled Skutterudite Nanocomposites with FeSb2 Nanoinclusions
DOI:10.1007/s11664-011-1831-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:7  AU: Zhou, Chen;Sakamoto, Jeffery;Morelli, Donald;
19:3:9:6     Study on lattice dynamics of filled skutterudites InxYbyCo4Sb12
DOI:10.1063/1.4739762  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:5  AU: Peng, Jiangying;Xu, Wei;Yan, Yonggao;Yang, Junyou;Fu, Liangwei;Kang, Hyejung;He, Jian;
19:3:9:7     The microstructural stability and thermoelectric properties of Mm(0.9)Fe(3.5)Co(0.5)Sb(12)-based skutterudites
DOI:10.1016/j.matchemphys.2012.12.026  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2013
  TC:4  AU: Zhang, L.;Sakamoto, J.;
19:3:9:8     Metallurgical and thermoelectric properties in Co1-xPdxSb3 and Co(1-x)Ni(x)Sb3 revisited
DOI:10.1016/j.jallcom.2013.03.206  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:4  AU: Alleno, E.;Zehani, E.;Rouleau, O.;
19:3:9:9     Thermoelectric Properties of Skutterudites Co4-x Ni (x) Sb11.9-y Te (y) Se-0.1
DOI:10.1007/s11664-014-3016-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Xu, Chenglong;Duan, Bo;Ding, Shijie;Zhai, Pengcheng;Zhang, Qingjie;
19:3:10:1     Charge-Compensated Compound Defects in Ga-containing Thermoelectric Skutterudites
DOI:10.1002/adfm.201202571  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2013
  TC:22  AU: Qiu, Yuting;Xi, Lili;Shi, Xun;Qiu, Pengfei;Zhang, Wenqing;Chen, Lidong;Salvador, James R.;Cho, Jung Y.;Yang, Jihui;Chien, Yuan-chun;Chen, Sinn-wen;Tang, Yinglu;Snyder, G. Jeffrey;
19:3:10:2     High-temperature thermoelectric properties of thallium-filled skutterudites
DOI:10.1063/1.3430739  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:17  AU: Harnwunggmoung, Adul;Kurosaki, Ken;Muta, Hiroaki;Yamanaka, Shinsuke;
19:3:10:3     Thermoelectric properties of Ga-added CoSb3 based skutterudites
DOI:10.1063/1.3606417  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:14  AU: Harnwunggmoung, Adul;Kurosaki, Ken;Plirdpring, Theerayuth;Sugahara, Tohru;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:3:10:4     Thermoelectric Properties of Group 13 Elements-Triple Filled Skutterudites: Nominal InxGa0.02Tl0.20Co4Sb12
DOI:10.2320/matertrans.E-M2014826  JN:MATERIALS TRANSACTIONS  PY:2014
  TC:1  AU: Li, Guanghe;Kurosaki, Ken;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:3:10:5     Effects of Tl-filling into the voids and Rh substitution for Co on the thermoelectric properties of CoSb3
DOI:10.1016/j.jallcom.2010.09.207  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:5  AU: Harnwunggmoung, Adul;Kurosaki, Ken;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:3:10:6     Transport properties and microstructure of indium-added cobalt-antimony-based skutterudites
DOI:10.1557/jmr.2011.102  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:12  AU: Sesselmann, Andreas;Dasgupta, Titas;Kelm, Klemens;Mueller, Eckhard;Perlt, Susanne;Zastrow, Sebastian;
19:3:10:7     How thermoelectric properties of p-type Tl-filled skutterudites are improved
DOI:10.1063/1.4821626  JN:APL MATERIALS  PY:2013
  TC:3  AU: Kim, Donghun;Kurosaki, Ken;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:3:10:8     Thermoelectric properties of Tl-filled Co-free p-type skutterudites: Tl-x(Fe,Ni)(4)Sb-12
DOI:10.1063/1.4861157  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Choi, Seongho;Kurosaki, Ken;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:3:10:9     Thermoelectric Properties of Indium-Added Skutterudites In (x) Co4Sb12
DOI:10.1007/s11664-012-2290-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:5  AU: Li, Guanghe;Kurosaki, Ken;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:3:10:10     Fabrication and Thermoelectric Power Factor of CoSb3 Prepared using Modified Polyol Process and Evacuated- and-Encapsulated Sintering
DOI:10.1007/s11664-012-2322-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Gharleghi, Ahmad;Chang, Hon-Zi;Chen, Yin-Chiao;Yang, Yao-Wei;Liu, Chia-Jyi;
19:3:10:11     Investigation on Indium-Filled Skutterudite Materials Prepared by Combining Hydrothermal Synthesis and Hot Pressing
DOI:10.1007/s11664-011-1603-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:6  AU: Du, Y.;Cai, K. F.;Chen, S.;Qin, Z.;Shen, S. Z.;
19:3:10:12     Reduction in Lattice Thermal Conductivity of InSb by Formation of the ZnIn18GeSb20 Alloy
DOI:10.2320/matertrans.M2012176  JN:MATERIALS TRANSACTIONS  PY:2012
  TC:0  AU: Kim, Donghun;Kurosaki, Ken;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:3:11:1     Einstein modes in the phonon density of states of the single-filled skutterudite Yb0.2Co4Sb12
DOI:10.1103/PhysRevB.82.174301  JN:PHYSICAL REVIEW B  PY:2010
  TC:17  AU: Dimitrov, I. K.;Manley, M. E.;Shapiro, S. M.;Yang, J.;Zhang, W.;Chen, L. D.;Jie, Q.;Ehlers, G.;Podlesnyak, A.;Camacho, J.;Li, Qiang;
19:3:11:2     Electronic structure and transport properties of single and double filled CoSb3 with atoms Ba, Yb and In
DOI:10.1063/1.3596811  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:10  AU: Zhou, An;Liu, Lisheng;Zhai, Pengcheng;Zhao, Wenyu;Zhang, Qingjie;
19:3:11:3     Lattice dynamics and substrate-dependent transport properties of (In, Yb)-doped CoSb3 skutterudite thin films
DOI:10.1063/1.3651382  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:12  AU: Kumar, S. R. Sarath;Cha, Dongkyu;Alshareef, H. N.;
19:3:11:4     Pulsed laser deposition and thermoelectric properties of In- and Yb-doped CoSb3 skutterudite thin films
DOI:10.1557/jmr.2011.198  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:11  AU: Kumar, S. R. Sarath;Alyamani, A.;Graff, J. W.;Tritt, T. M.;Alshareef, H. N.;
19:3:11:5     Properties of thin N-type Yb(0.14)Co(4)Sb(12) and P-type Ce(0.09)Fe(0.67)Co(3.33)Sb(12) skutterudite layers prepared by laser ablation
DOI:10.1116/1.3425803  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A  PY:2010
  TC:7  AU: Zeipl, Radek;Walachova, Jarmila;Lorincik, Jan;Leshkov, Sergey;Josiekova, Monika;Jelinek, Miroslav;Kocourek, Tomas;Jurek, Karel;Navratil, Jiri;Benes, Ludvik;Plechacek, Tomas;
19:3:11:6     Ab initio calculations of structural, optical and thermoelectric properties for CoSb3 and ACo(4)Sb(12) (A = La, Tl and Y) compounds
DOI:10.1016/j.commatsci.2012.08.013  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2012
  TC:10  AU: Aliabad, H. A. Rahnamaye;Ghazanfari, M.;Ahmad, Iftikhar;Saeed, M. A.;
19:3:11:7     Electronic Structures and Transport Properties of Single-Filled CoSb3
DOI:10.1007/s11664-010-1073-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:7  AU: Zhou, An;Liu, Li-Sheng;Zhai, Peng-Cheng;Zhao, Wen-Yu;Zhang, Qing-Jie;
19:3:11:8     Electronic Structures and Transport Properties of RFe4Sb12 (R = Na, Ca, Nd, Yb, Sn, In)
DOI:10.1007/s11664-010-1472-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:2  AU: Zhou, An;Liu, Li-Sheng;Shu, Cui-Cui;Zhai, Peng-Cheng;Zhao, Wen-Yu;Zhang, Qing-Jie;
19:3:11:9     Properties of thermoelectric Ce0.09Fe0.67Co3.33Sb12/FeSb2Te multi-layered structures prepared by laser ablation
DOI:10.1016/j.tsf.2013.09.068  JN:THIN SOLID FILMS  PY:2013
  TC:0  AU: Zeipl, R.;Jelinek, M.;Navratil, J.;Kocourek, T.;Leshkov, S.;Sroubek, F.;Vanis, J.;Walachova, J.;
19:3:12:1     Thermoelectric properties of In0.2Co4Sb12 skutterudites with embedded PbTe or ZnO nanoparticles
DOI:10.1016/j.jallcom.2013.11.204  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Chubilleau, C.;Lenoir, B.;Candolfi, C.;Masschelein, P.;Dauscher, A.;Guilmeau, E.;Godart, C.;
19:3:12:2     Influence of ZnO nano-inclusions on the transport properties of the CoSb3 skutterudite
DOI:10.1016/j.jallcom.2012.11.167  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:6  AU: Chubilleau, C.;Lenoir, B.;Masschelein, P.;Dauscher, A.;Candolfi, C.;Guilmeau, E.;Godart, C.;
19:3:12:3     High temperature thermoelectric properties of CoSb3 skutterudites with PbTe inclusions
DOI:10.1007/s10853-012-6891-3  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:5  AU: Chubilleau, C.;Lenoir, B.;Masschelein, P.;Dauscher, A.;Candolfi, C.;Guilmeau, E.;Godart, C.;
19:3:12:4     Thermoelectric properties of Co0.9Fe0.1Sb3-based skutterudite nanocomposites with FeSb2 nanoinclusions
DOI:10.1063/1.3554403  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:10  AU: Zhou, Chen;Sakamoto, Jeffrey;Morelli, Donald;Zhou, Xiaoyuan;Wang, Guoyu;Uher, Ctirad;
19:3:12:5     Laser fragmentation in liquid medium: A new way for the synthesis of PbTe nanoparticles
DOI:10.1016/j.jcis.2011.01.057  JN:JOURNAL OF COLLOID AND INTERFACE SCIENCE  PY:2011
  TC:13  AU: Chubilleau, C.;Lenoir, B.;Migot, S.;Dauscher, A.;
19:3:12:6     Multiple-Filled Skutterudites: High Thermoelectric Figure of Merit through Separately Optimizing Electrical and Thermal Transports (vol 133, pg 7837, 2011)
DOI:10.1021/ja211185w  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:5  AU: Shi, Xun;Yang, Jiong;Salvador, James R.;Chi, Miaofang;Cho, Jung Y.;Wang, Hsin;Bai, Shengqiang;Yang, Jihui;Zhang, Wenqing;Chen, Lidong;
19:3:12:7     Influence of ZnO Inclusions on the Low-Temperature Thermoelectric Properties of CoSb3
DOI:10.1007/s11664-011-1866-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Chubilleau, C.;Lenoir, B.;Masschelein, P.;Dauscher, A.;Godart, C.;
19:3:12:8     Low-Temperature Transport Properties of In (x) Fe (y) Co4-y Sb-12
DOI:10.1007/s11664-010-1117-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:3  AU: Leszczynski, J.;Dauscher, A.;Masschelein, P.;Lenoir, B.;
19:3:13:1     Double-filled skutterudites of the type YbxCayCo4Sb12: Synthesis and properties
DOI:10.1063/1.3296186  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:32  AU: Salvador, J. R.;Yang, J.;Wang, H.;Shi, X.;
19:3:13:2     Thermoelectric properties of Spark Plasma Sintered InxYbyLa0.3-x-yCo4Sb12 skutterudite system
DOI:10.1016/j.renene.2011.09.028  JN:RENEWABLE ENERGY  PY:2012
  TC:10  AU: Lee, Jae-Ki;Choi, Soon-Mok;Seo, Won-Seon;Lim, Young-Soo;Lee, Hong-Lim;Kim, Il-Ho;
19:3:13:3     Exceeding the filling fraction limit in CoSb3 skutterudite: multi-role chemistry of praseodymium leading to promising thermoelectric performance
DOI:10.1039/c4ta00600c  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:5  AU: Graff, J. W.;Zeng, X.;Dehkordi, A. M.;He, J.;Tritt, T. M.;
19:3:13:4     Low Thermal Conductivity and Enhanced Thermoelectric Performance in In and Lu Double-Filled CoSb3 Skutterudites
DOI:10.1007/s11664-010-1477-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:8  AU: Tang, G. D.;Wang, Z. H.;Xu, X. N.;He, Y.;Qiu, L.;Du, Y. W.;
19:3:13:5     Thermoelectric property enhancement in Yb-doped n-type skutterudites YbxCo4Sb12
DOI:10.1016/j.actamat.2014.05.019  JN:ACTA MATERIALIA  PY:2014
  TC:1  AU: Dahal, Tulashi;Jie, Qing;Joshi, Giri;Chen, Shuo;Guo, Chuanfei;Lan, Yucheng;Ren, Zhifeng;
19:3:13:6     Synthesis and Thermoelectric Properties of In and Pr Double-Filled Skutterudites In (x) Pr (y) Co4Sb12
DOI:10.1007/s11664-013-2903-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Tang, Guodong;Yang, Wenchao;Xu, Feng;He, Yun;
19:3:13:7     An Optimization of Composition Ratio among Triple-Filled Atoms in In0.3-x-yBaxCeyCo4Sb12 System
DOI:10.1155/2013/973060  JN:JOURNAL OF NANOMATERIALS  PY:2013
  TC:1  AU: Kim, So-Young;Choi, Soon-Mok;Seo, Won-Seon;Lim, Young Soo;Lee, Soonil;Kim, Il-Ho;Cho, Hyung Koun;
19:3:14:1     The thermoelectric properties of InxCo4Sb12 alloys prepared by HPHT
DOI:10.1016/j.matlet.2011.06.002  JN:MATERIALS LETTERS  PY:2011
  TC:11  AU: Deng, L.;Jia, X. P.;Su, T. C.;Zheng, S. Z.;Guo, X.;Jie, K.;Ma, H. A.;
19:3:14:2     Gadolinium filled CoSb3: High pressure synthesis and thermoelectric properties
DOI:10.1016/j.matlet.2013.02.034  JN:MATERIALS LETTERS  PY:2013
  TC:4  AU: Yang, Jianqing;Xu, Bo;Zhang, Long;Liu, Yadi;Yu, Dongli;Liu, Zhongyuan;He, Julong;Tian, Yongjun;
19:3:14:3     The thermoelectric properties of Co4Sb12-xTex synthesized at different pressure
DOI:10.1016/j.matlet.2010.12.052  JN:MATERIALS LETTERS  PY:2011
  TC:9  AU: Deng, L.;Jia, X. P.;Su, T. C.;Jiang, Y. P.;Zheng, S. Z.;Guo, X.;Ma, H. A.;
19:3:14:4     Thermoelectric properties of Ti0.2Co4Sb11.5Te0.5 prepared by HPHT
DOI:10.1016/j.jallcom.2010.11.027  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:6  AU: Deng, Le;Ma, Hongan;Su, Taichao;Jiang, Yiping;Zheng, Shizhao;Jia, Xiaopeng;
19:3:14:5     The thermoelectric properties of In0.5Co4Sb12-xGex alloys prepared by HPHT
DOI:10.1016/j.matlet.2011.10.035  JN:MATERIALS LETTERS  PY:2012
  TC:5  AU: Deng, L.;Jia, X. P.;Su, T. C.;Jie, K.;Guo, X.;Ma, H. A.;
19:3:14:6     The impact of synthesis pressure on the thermoelectric properties of CoSb3
DOI:10.1016/j.matlet.2012.11.089  JN:MATERIALS LETTERS  PY:2013
  TC:3  AU: Deng, L.;Jia, X. P.;Qin, J. M.;Wan, Y. C.;Li, J. L.;Ma, H. A.;
19:3:14:7     Pressure-induced improvement of Seebeck coefficient and thermoelectric efficiency of CoSb3
DOI:10.1016/j.matlet.2014.04.095  JN:MATERIALS LETTERS  PY:2014
  TC:2  AU: Wu, Lei;Sun, Yue;Zhang, Guo-Zhao;Gao, Chun-Xiao;
19:3:14:8     Beneficial effect of high pressure and double-atom-doped skutterudite compounds Co4Sb11.5-xTe0.5Snx by HPHT
DOI:10.1016/j.jallcom.2014.05.196  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Sun, Hairui;Jia, Xiaopeng;Deng, Le;Wang, Cheng;Lv, Pin;Guo, Xin;Sun, Bing;Zhang, Yuewen;Liu, Binwu;Ma, Hongan;
19:3:14:9     Fast Preparation and Low-Temperature Thermoelectric Properties of CoSb3
DOI:10.1007/s11664-012-2259-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Su, Taichao;He, Chunyuan;Li, Hongtao;Guo, Xin;Li, Shangsheng;Ma, Hongan;Jia, Xiaopeng;
19:3:14:10     The enhanced thermoelectric properties of Ba0.25Pb0.05Co4Sb11.5Te0.5 alloys prepared by HPHT at different pressure
DOI:10.1016/j.matlet.2011.02.062  JN:MATERIALS LETTERS  PY:2011
  TC:1  AU: Deng, L.;Jia, X. P.;Su, T. C.;Jiang, Y. P.;Zheng, S. Z.;Guo, X.;Ma, H. A.;
19:3:15:1     Systematic Study of the Multiple-Element Filling in Caged Skutterudite CoSb3
DOI:10.1021/cm903717w  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:21  AU: Xi, Lili;Yang, Jiong;Lu, Caifei;Mei, Zhigang;Zhang, Wenqing;Chen, Lidong;
19:3:15:2     Ultra-fast synthesis and thermoelectric properties of Te doped skutterudites
DOI:10.1039/c4ta02780a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:5  AU: Liang, Tao;Su, Xianli;Yan, Yonggao;Zheng, Gang;Zhang, Qiang;Chi, Hang;Tang, Xinfeng;Uher, Ctirad;
19:3:15:3     Rapid microwave synthesis of indium filled skutterudites: An energy efficient route to high performance thermoelectric materials
DOI:10.1016/j.materresbull.2011.08.058  JN:MATERIALS RESEARCH BULLETIN  PY:2011
  TC:18  AU: Biswas, Krishnendu;Muir, Sean;Subramanian, M. A.;
19:3:15:4     Microwave Synthesis and Characterization of the Series Co1-xFexSb3 High Temperature Thermoelectric Materials
DOI:10.1007/s11664-014-3197-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Ioannidou, A. A.;Rull, M.;Martin-Gonzalez, M.;Moure, A.;Jacquot, A.;Niarchos, D.;
19:3:15:5     Effect of Ti/Si ratio on the products of laser igniting self-propagating high-temperature synthesis in Cu-Ti-Si system
DOI:10.1016/j.jallcom.2012.08.078  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:1  AU: Li, Yuxin;Huang, Sha;Bai, Peikang;Liu, Bin;Wang, Jianhong;
19:3:16:1     Excellent performance stability of Ba and In double-filled skutterudite thermoelectric materials
DOI:10.1016/j.actamat.2011.01.064  JN:ACTA MATERIALIA  PY:2011
  TC:14  AU: Wei, Ping;Zhao, Wen-Yu;Dong, Chun-Lei;Yang, Xuan;Yu, Jian;Zhang, Qing-Jie;
19:3:16:2     Enhanced thermoelectric performance of (Ba,In) double-filled skutterudites via randomly arranged micropores
DOI:10.1063/1.4870003  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Yu, Jian;Zhao, Wen-Yu;Wei, Ping;Zhu, Wan-Ting;Zhou, Hong-Yu;Liu, Zhi-Yuan;Tang, Ding-Guo;Lei, Bing;Zhang, Qing-Jie;
19:3:16:3     Enhanced thermoelectric performance via randomly arranged nanopores: Excellent transport properties of YbZn2Sb2 nanoporous materials
DOI:10.1016/j.actamat.2011.11.056  JN:ACTA MATERIALIA  PY:2012
  TC:7  AU: Zhao, Wen-Yu;Liang, Zhu;Wei, Ping;Yu, Jian;Zhang, Qing-Jie;Shao, Guo-Sheng;
19:3:16:4     Design and Optimization of Gradient Interface of Ba0.4In0.4Co4Sb12/Bi2Te2.7Se0.3 Thermoelectric Materials
DOI:10.1007/s11664-012-1981-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Liu, Gang;Zhao, Wen-Yu;Zhou, Hong-Yu;Wei, Ping;Yu, Jian;Tang, Ding-Guo;Zhang, Qing-Jie;
19:3:16:5     Design and Optimization of Gradient Interface of p-Type Ba0.3In0.3FeCo3Sb12/Bi0.48Sb1.52Te3 Thermoelectric Materials
DOI:10.1007/s11664-012-2285-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Zhou, Hong-Yu;Zhao, Wen-Yu;Liu, Gang;Cheng, Hong;Zhang, Qing-Jie;
19:3:16:6     Effects of Annealing on Microstructure and Thermoelectric Properties of Nanostructured CoSb3
DOI:10.1007/s11664-012-2286-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Wen, Peng-Fei;Li, Peng;Zhang, Qing-Jie;Ruan, Zhong-Wei;Liu, Li-Sheng;Zhai, Peng-Cheng;
19:3:17:1     Influence of substituting Sn for Sb on the thermoelectric transport properties of CoSb3-based skutterudites
DOI:10.1063/1.4867609  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:4  AU: Hui, Si;Nielsen, Michele D.;Homer, Mark R.;Medlin, Douglas L.;Tobola, Janusz;Salvador, James R.;Heremans, Joseph P.;Pipe, Kevin P.;Uher, Ctirad;
19:3:17:2     Analysis of high-temperature thermoelectric properties of p-type CoSb3 within a two-valence-band and two-conduction-band model
DOI:10.1063/1.4880315  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:4  AU: Kajikawa, Y.;
19:3:17:3     A study of electronic structure and lattice dynamics of CoSb3 skutterudite
DOI:10.1016/j.jmmm.2010.05.033  JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS  PY:2010
  TC:9  AU: Lu, Peng-Xian;Ma, Qiu-Hua;Li, Yuan;Hu, Xing;
19:3:17:4     Effects of impurity-band conduction on thermoelectric properties of lightly doped p-type CoSb3
DOI:10.1063/1.4898688  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Kajikawa, Y.;
19:3:17:5     Effects of impurity-band conduction on thermoelectric properties of lightly doped p-type CoSb3 (vol 116, 153710, 2014)
DOI:10.1063/1.4901827  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Kajikawa, Y.;
19:3:18:1     Microstructural evolution of the interfacial layer in the Ti-Al/Yb0.6Co4Sb12 thermoelectric joints at high temperature
DOI:10.1016/j.jallcom.2014.05.087  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Gu, Ming;Xia, Xugui;Li, Xiaoya;Huang, Xiangyang;Chen, Lidong;
19:3:18:2     Development of Skutterudite Thermoelectric Materials and Modules
DOI:10.1007/s11664-012-1958-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:15  AU: Guo, J. Q.;Geng, H. Y.;Ochi, T.;Suzuki, S.;Kikuchi, M.;Yamaguchi, Y.;Ito, S.;
19:3:18:3     Thermoelectric Properties of Multifilled Skutterudites with La as the Main Filler
DOI:10.1007/s11664-013-2501-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Geng, Huiyuan;Ochi, Takahiro;Suzuki, Shogo;Kikuchi, Masaaki;Ito, Satoru;Guo, Junqing;
19:3:18:4     Stability of Skutterudite Thermoelectric Materials
DOI:10.1007/s11664-013-2855-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Nie, Ge;Ochi, Takahiro;Suzuki, Shogo;Kikuchi, Masaaki;Ito, Satoru;Guo, Junqing;
19:3:19:1     Realization of high thermoelectric performance in p-type unfilled ternary skutterudites FeSb2+xTe1-x via band structure modification and significant point defect scattering
DOI:10.1016/j.actamat.2013.09.006  JN:ACTA MATERIALIA  PY:2013
  TC:10  AU: Tan, Gangjian;Liu, Wei;Chi, Hang;Su, Xianli;Wang, Shanyu;Yan, Yonggao;Tang, Xinfeng;Wong-Ng, Winnie;Uher, Ctirad;
19:3:19:2     Thermoelectric Properties of RuSb2Te Ternary Skutterudites
DOI:10.1007/s11664-012-2451-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Navratil, J.;Plechacek, T.;Drasar, C.;Laufek, F.;
19:3:19:3     Synthesis, crystal structure and thermoelectric properties of the ternary skutterudite Fe2Pd2Sb12
DOI:10.1016/j.jallcom.2009.12.085  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:5  AU: Navratil, J.;Laufek, F.;Plechacek, T.;Plasil, J.;
19:3:19:4     Thermodynamic modeling of the Pd-Sb system
DOI:10.1016/j.jallcom.2010.07.220  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:2  AU: Han, Wei;Li, Mei;
19:3:20:1     Electronic and thermoelectric properties of CoSbS and FeSbS
DOI:10.1103/PhysRevB.87.045205  JN:PHYSICAL REVIEW B  PY:2013
  TC:4  AU: Parker, David;May, Andrew F.;Wang, Hsin;McGuire, Michael A.;Sales, Brian C.;Singh, David J.;
19:3:20:2     Electronic and thermoelectric properties of CoSbS and FeSbS (vol 87, 045205, 2013)
DOI:10.1103/PhysRevB.88.159902  JN:PHYSICAL REVIEW B  PY:2013
  TC:0  AU: Parker, David;May, Andrew F.;Wang, Hsin;McGuire, Michael A.;Sales, Brian C.;Singh, David J.;
19:3:21:1     Novel K rattling: A new route to thermoelectric materials?
DOI:10.1063/1.4861641  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:4  AU: Shoko, Elvis;Okamoto, Y.;Kearley, Gordon J.;Peterson, Vanessa K.;Thorogood, Gordon J.;
19:3:21:2     Novel K rattling: A new route to thermoelectric materials? (vol 115, 033703, 2014)
DOI:10.1063/1.4871185  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Shoko, Elvis;Okamoto, Y.;Kearley, Gordon J.;Peterson, Vanessa K.;Thorogood, Gordon J.;
19:4:1     Heat transport in silicon from first-principles calculations
DOI:10.1103/PhysRevB.84.085204  JN:PHYSICAL REVIEW B  PY:2011
  TC:103  AU: Esfarjani, Keivan;Chen, Gang;Stokes, Harold T.;
19:4:2     Intrinsic phonon relaxation times from first-principles studies of the thermal conductivities of Si and Ge
DOI:10.1103/PhysRevB.81.085205  JN:PHYSICAL REVIEW B  PY:2010
  TC:83  AU: Ward, A.;Broido, D. A.;
19:4:3     Size effects in molecular dynamics thermal conductivity predictions
DOI:10.1103/PhysRevB.81.214305  JN:PHYSICAL REVIEW B  PY:2010
  TC:94  AU: Sellan, D. P.;Landry, E. S.;Turney, J. E.;McGaughey, A. J. H.;Amon, C. H.;
19:4:4     Phonon conduction in PbSe, PbTe, and PbTe1-xSex from first-principles calculations
DOI:10.1103/PhysRevB.85.184303  JN:PHYSICAL REVIEW B  PY:2012
  TC:54  AU: Tian, Zhiting;Garg, Jivtesh;Esfarjani, Keivan;Shiga, Takuma;Shiomi, Junichiro;Chen, Gang;
19:4:5     Role of Disorder and Anharmonicity in the Thermal Conductivity of Silicon-Germanium Alloys: A First-Principles Study
DOI:10.1103/PhysRevLett.106.045901  JN:PHYSICAL REVIEW LETTERS  PY:2011
  TC:74  AU: Garg, Jivtesh;Bonini, Nicola;Kozinsky, Boris;Marzari, Nicola;
19:4:6     Thermal Conductivity Spectroscopy Technique to Measure Phonon Mean Free Paths
DOI:10.1103/PhysRevLett.107.095901  JN:PHYSICAL REVIEW LETTERS  PY:2011
  TC:76  AU: Minnich, A. J.;Johnson, J. A.;Schmidt, A. J.;Esfarjani, K.;Dresselhaus, M. S.;Nelson, K. A.;Chen, G.;
19:4:7     Prediction of Spectral Phonon Mean Free Path and Thermal Conductivity with Applications to Thermoelectrics and Thermal Management: A Review
DOI:10.1155/2014/206370  JN:JOURNAL OF NANOMATERIALS  PY:2014
  TC:12  AU: Feng, Tianli;Ruan, Xiulin;
19:4:8     Thermal conductivity and phonon linewidths of monolayer MoS2 from first principles
DOI:10.1063/1.4850995  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:24  AU: Li, Wu;Carrete, J.;Mingo, Natalio;
19:4:9     Thermal conductivity of half-Heusler compounds from first-principles calculations
DOI:10.1103/PhysRevB.84.104302  JN:PHYSICAL REVIEW B  PY:2011
  TC:41  AU: Shiomi, Junichiro;Esfarjani, Keivan;Chen, Gang;
19:4:10     Ab initio thermal transport in compound semiconductors
DOI:10.1103/PhysRevB.87.165201  JN:PHYSICAL REVIEW B  PY:2013
  TC:27  AU: Lindsay, L.;Broido, D. A.;Reinecke, T. L.;
19:4:11     Direct Measurement of Room-Temperature Nondiffusive Thermal Transport Over Micron Distances in a Silicon Membrane
DOI:10.1103/PhysRevLett.110.025901  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:34  AU: Johnson, Jeremy A.;Maznev, A. A.;Cuffe, John;Eliason, Jeffrey K.;Minnich, Austin J.;Kehoe, Timothy;Sotomayor Torres, Clivia M.;Chen, Gang;Nelson, Keith A.;
19:4:12     Intrinsic thermal conductivity and its anisotropy of wurtzite InN
DOI:10.1063/1.4893882  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Ma, Jinlong;Li, Wu;Luo, Xiaobing;
19:4:13     Cross-plane phonon transport in thin films
DOI:10.1063/1.3517158  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:41  AU: Sellan, D. P.;Turney, J. E.;McGaughey, A. J. H.;Amon, C. H.;
19:4:14     Thermal conductivity of diamond nanowires from first principles
DOI:10.1103/PhysRevB.85.195436  JN:PHYSICAL REVIEW B  PY:2012
  TC:28  AU: Li, Wu;Mingo, Natalio;Lindsay, L.;Broido, D. A.;Stewart, D. A.;Katcho, N. A.;
19:4:15     Examining the Callaway model for lattice thermal conductivity
DOI:10.1103/PhysRevB.90.035203  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Ma, Jinlong;Li, Wu;Luo, Xiaobing;
19:4:16     Thermal conductivity of diamond under extreme pressure: A first-principles study
DOI:10.1103/PhysRevB.86.115203  JN:PHYSICAL REVIEW B  PY:2012
  TC:14  AU: Broido, D. A.;Lindsay, L.;Ward, A.;
19:4:17     Phonon transport in periodic silicon nanoporous films with feature sizes greater than 100 nm
DOI:10.1103/PhysRevB.87.195301  JN:PHYSICAL REVIEW B  PY:2013
  TC:9  AU: Jain, Ankit;Yu, Ying-Ju;McGaughey, Alan J. H.;
19:4:18     Thermal Conductivity and Large Isotope Effect in GaN from First Principles
DOI:10.1103/PhysRevLett.109.095901  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:32  AU: Lindsay, L.;Broido, D. A.;Reinecke, T. L.;
19:4:19     Mean free path spectra as a tool to understand thermal conductivity in bulk and nanostructures
DOI:10.1103/PhysRevB.87.035437  JN:PHYSICAL REVIEW B  PY:2013
  TC:18  AU: Yang, Fan;Dames, Chris;
19:4:20     Predicting alloy vibrational mode properties using lattice dynamics calculations, molecular dynamics simulations, and the virtual crystal approximation
DOI:10.1063/1.4812737  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:7  AU: Larkin, Jason M.;McGaughey, Alan J. H.;
19:4:21     Lattice dynamics and thermal conductivity of skutterudites CoSb3 and IrSb3 from first principles: Why IrSb3 is a better thermal conductor than CoSb3
DOI:10.1103/PhysRevB.90.094302  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Li, Wu;Mingo, Natalio;
19:4:22     On the importance of optical phonons to thermal conductivity in nanostructures
DOI:10.1063/1.3615709  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:26  AU: Tian, Zhiting;Esfarjani, Keivan;Shiomi, Junichiro;Henry, Asegun S.;Chen, Gang;
19:4:23     Thermal conductivity of Si1-xGex/Si1-yGey superlattices: Competition between interfacial and internal scattering
DOI:10.1103/PhysRevB.88.155318  JN:PHYSICAL REVIEW B  PY:2013
  TC:3  AU: Aksamija, Z.;Knezevic, I.;
19:4:24     Thermal conductivity of fully filled skutterudites: Role of the filler
DOI:10.1103/PhysRevB.89.184304  JN:PHYSICAL REVIEW B  PY:2014
  TC:3  AU: Li, Wu;Mingo, Natalio;
19:4:25     Nanostructure thermal conductivity prediction by Monte Carlo sampling of phonon free paths
DOI:10.1063/1.3683539  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:21  AU: McGaughey, Alan J. H.;Jain, Ankit;
19:4:26     First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?
DOI:10.1103/PhysRevLett.111.025901  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:19  AU: Lindsay, L.;Broido, D. A.;Reinecke, T. L.;
19:4:27     Role of light and heavy embedded nanoparticles on the thermal conductivity of SiGe alloys
DOI:10.1103/PhysRevB.84.125426  JN:PHYSICAL REVIEW B  PY:2011
  TC:19  AU: Kundu, A.;Mingo, N.;Broido, D. A.;Stewart, D. A.;
19:4:28     Determining Phonon Mean Free Paths from Observations of Quasiballistic Thermal Transport
DOI:10.1103/PhysRevLett.109.205901  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:18  AU: Minnich, A. J.;
19:4:29     Thermal conductivity of bulk and nanowire Mg2SixSn1-x alloys from first principles
DOI:10.1103/PhysRevB.86.174307  JN:PHYSICAL REVIEW B  PY:2012
  TC:1  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD)  in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum  coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;Spin-assisted covalent bond mechanism in "charge-ordering" perovskite;oxides;PHYSICAL REVIEW B;86;19;195144;10.1103/PhysRevB.86.195144;NOV 30 2012;2012;First-principles density functional calculations on the metal-insulator;transition (MIT) in perovskite CaFeO3 point to local ferromagnetic;coupling as the microscopic origin for the electronic "charge order";transition. Our atomic, electronic, and magnetic structure analyses;reveal that the MIT results from a spin-assisted covalent bonding;mechanism between the O 2p and Fe 3d states with anisotropic Fe-O bonds;and negligible intersite Fe-Fe charge transfer. We suggest that control;of the lattice distortions, which mediate the covalent bond formation,;in oxides containing late transition-metal row cations in high valence;states provides a platform to tailor electronic transitions.;Rondinelli, James/A-2071-2009; Cammarata, Antonio/A-4883-2014;Rondinelli, James/0000-0003-0508-2175; Cammarata,;Antonio/0000-0002-5691-0682;7;0;0;0;7;1098-0121;WOS:000311715000003;;;J;Clem, John R.;Kogan, V. G.;Kinetic impedance and depairing in thin and narrow superconducting films;PHYSICAL REVIEW B;86;17;174521;10.1103/PhysRevB.86.174521;NOV 30 2012;2012;We use both Eilenberger-Usadel and Ginzburg-Landau (GL) theory to;calculate the superfluid's temperature-dependent kinetic inductance for;all currents up to the depairing current in thin and narrow;superconducting films. The calculations apply to BCS weak-coupling;superconductors with isotropic gaps and transport mean-free paths much;less than the BCS coherence length. The kinetic inductance is calculated;for the response to a small alternating current when the film is;carrying a dc bias current. In the slow-experiment/fast-relaxation;limit, in which the superconducting order parameter quasistatically;follows the time-dependent current, the kinetic inductance diverges as;the bias current approaches the depairing value. However, in the;fast-experiment/slow-relaxiation limit, in which the the superconducting;order parameter remains fixed at a value corresponding to the dc bias;current, the kinetic inductance rises to a finite value at the depairing;current. We then use time-dependent GL theory to calculate the kinetic;impedance of the superfluid, which includes not only the kinetic;reactance, but also the kinetic resistance of the superfluid arising;from dissipation due to order-parameter relaxation. The kinetic;resistance is largest for angular frequencies omega obeying omega tau(s);> 1, where tau(s) is the order-parameter relaxation time, and for bias;currents close to the depairing current. We also include the normal;fluid's contribution to dissipation in deriving an expression for the;total kinetic impedance. The Appendices contain many details about the;temperature-dependent behavior of superconductors carrying current up to;the depairing value.;3;0;0;0;3;1098-0121;WOS:000311714600005;;;J;Cohn, J. L.;Boynton, P.;Trivino, J. S.;Trastoy, J.;White, B. D.;dos Santos, C. A. M.;Neumeier, J. J.;Stoichiometry, structure, and transport in the quasi-one-dimensional;metal Li0.9Mo6O17;PHYSICAL REVIEW B;86;19;195143;10.1103/PhysRevB.86.195143;NOV 30 2012;2012;A correlation between lattice parameters, oxygen composition, and the;thermoelectric and Hall coefficients is presented for single-crystal;Li0.9Mo6O17, a quasi-one-dimensional (Q1D) metallic compound. The;possibility that this compound is a compensated metal is discussed in;light of a substantial variability observed in the literature for these;transport coefficients.;1;0;0;0;1;1098-0121;WOS:000311715000002;;;J;Crepaldi, A.;Ressel, B.;Cilento, F.;Zacchigna, M.;Grazioli, C.;Berger, H.;Bugnon, Ph.;Kern, K.;Grioni, M.;Parmigiani, F.;Ultrafast photodoping and effective Fermi-Dirac distribution of the;Dirac particles in Bi2Se3;PHYSICAL REVIEW B;86;20;205133;10.1103/PhysRevB.86.205133;NOV 30 2012;2012;We exploit time- and angle-resolved photoemission spectroscopy to;determine the evolution of the out-of-equilibrium electronic structure;of the topological insulator Bi2Se3. The response of the Fermi-Dirac;distribution to ultrashort IR laser pulses has been studied by modeling;the dynamics of hot electrons after optical excitation. We disentangle a;large increase in the effective temperature (T*) from a shift of the;chemical potential (mu*), which is consequence of the ultrafast;photodoping of the conduction band. The relaxation dynamics of T* and;mu* are k independent and these two quantities uniquely define the;evolution of the excited charge population. We observe that the energy;dependence of the nonequilibrium charge population is solely determined;by the analytical form of the effective Fermi-Dirac distribution.;14;1;0;0;14;1098-0121;WOS:000311715100007;;;J;Dumlich, Heiko;Reich, Stephanie;Nanotube bundles and tube-tube orientation: A van der Waals density;functional study (vol 84, 064121, 2011);PHYSICAL REVIEW B;86;17;179905;10.1103/PhysRevB.86.179905;NOV 30 2012;2012;0;0;0;0;0;1098-0121;WOS:000311714600007;;;J;Fukutani, Keisuke;Hayashi, Hirokazu;Yakovkin, Ivan N.;Habuchi, Takafumi;Hirayama, Daisuke;Jiang, Jian;Iwasawa, Hideaki;Shimada, Kenya;Losovyj, Ya. B.;Dowben, Peter A.;Enhanced electron-phonon coupling at the Au/Mo(112) surface;PHYSICAL REVIEW B;86;20;205432;10.1103/PhysRevB.86.205432;NOV 30 2012;2012;A detailed investigation of the electronic structure and electron-phonon;coupling for a Au monolayer on the Mo(112) surface is presented. The;electronic states of bulk Mo and the (112) surface-derived states are;seen to strongly hybridize with those of the Au overlayer, resulting in;the formation of surface resonance states localized near the surface and;the interface of Au/Mo(112). The experimentally extracted self-energy;due to the electron-phonon coupling on one of the surface resonance;bands gives a good quantitative agreement with the calculations. The;strength of electron-phonon coupling for Au/Mo(112) is discussed in;terms of the mass enhancement factor and is considerably larger than for;the Mo(112) surface. Such an increase in the mass enhancement factor in;the vicinity of the Fermi level likely derives from the soft surface;phonon modes created upon Au adsorption.;2;0;0;0;2;1098-0121;WOS:000311715100011;;;J;Hamada, Ikutaro;Adsorption of water on graphene: A van der Waals density functional;study;PHYSICAL REVIEW B;86;19;195436;10.1103/PhysRevB.86.195436;NOV 30 2012;2012;The van der Waals density functional (vdW-DF) was used to investigate;the interaction of a water monomer with graphene. It was found that a;variant of vdW-DF [Hamada and Otani, Phys. Rev. B 82, 153412 (2010)];predicts geometries and energetics of water on graphene which are in;good agreement with those obtained using more elaborate random-phase;approximation and quantum Monte Carlo approaches. Interfacial electronic;structures were also analyzed in detail.;Hamada, Ikutaro/E-8040-2010;Hamada, Ikutaro/0000-0001-5112-2452;12;1;0;0;12;1098-0121;WOS:000311715000010;;;J;Hofmann, D.;Kuemmel, S.;Integer particle preference during charge transfer in Kohn-Sham theory;PHYSICAL REVIEW B;86;20;201109;10.1103/PhysRevB.86.201109;NOV 30 2012;2012;We investigate the static and dynamic charge transfer that is triggered;by external electric fields in model molecular wires. A self-interaction;correction in Kohn-Sham density functional theory leads to the desired;integer electron transfers that do not occur with standard functionals;which miss Coulomb blockade effects. Analysis of the multiplicative;exchange-correlation potential in stationary cases and during real-time;propagation shows how the local exchange-correlation potential builds up;step and reverse-step structures that enforce the integer particle;preference. The role of spin-symmetry breaking is discussed.;Kummel, Stephan/K-5634-2014;8;0;0;0;8;1098-0121;WOS:000311715100002;;;J;Illg, Christian;Meyer, Bernd;Faehnle, Manfred;Frequencies and polarization vectors of phonons: Results from force;constants which are fitted to experimental data or calculated ab initio;PHYSICAL REVIEW B;86;17;174309;10.1103/PhysRevB.86.174309;NOV 30 2012;2012;The properties of phonons may be calculated from the dynamical matrix;which is determined by force constants. Often the force constants are;obtained by fitting them to experimental phonon frequencies, e. g., for;wave vectors q on high-symmetry directions of the Brillouin zone. It is;well known that these force constants do not necessarily lead to correct;frequencies for wave vectors for nonsymmetrical q and to correct;polarization vectors. In the present paper this is demonstrated by;comparing for fcc Ni, fcc Al, and bcc Fe the frequencies and;polarization vectors calculated from fitted force constants with the;results from ab initio calculated force constants. However, for most;regions of the Brillouin zone the differences between the results;obtained from the two sets of force constants are not large.;1;0;0;0;1;1098-0121;WOS:000311714600003;;;J;Iori, Federico;Rodolakis, Fanny;Gatti, Matteo;Reining, Lucia;Upton, M.;Shvyd'ko, Y.;Rueff, Jean-Pascal;Marsi, Marino;Low-energy excitations in strongly correlated materials: A theoretical;and experimental study of the dynamic structure factor in V2O3;PHYSICAL REVIEW B;86;20;205132;10.1103/PhysRevB.86.205132;NOV 30 2012;2012;This work contains an experimental and theoretical study of the dynamic;structure factor at large momentum transfer vertical bar Q vertical bar;similar to 4 angstrom(-1) of the strongly correlated transition-metal;oxide V2O3. We focus in particular on the transitions between d states;that give rise to the spectra below 6 eV. We show that the main peak in;this energy range is mainly due to t(2g) -> e(g)(sigma) transitions, and;that it carries a signature of the phase transition between the;paramagnetic insulator and the paramagnetic metal that can already be;understood from the joint density of states calculated at the level of;the static local density approximation. Instead, in order to obtain;theoretical spectra that are overall similar to the measured ones, we;have to go beyond the static approximation and include at least crystal;local field effects. The latter turn out to be crucial in order to;eliminate a spurious peak and hence allow a safe comparison between;theory and experiment, including an analysis of the strong anisotropy of;the spectra.;CSIC-UPV/EHU, CFM/F-4867-2012; Iori, Federico/E-5372-2013; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Iori, Federico/0000-0002-7677-3435;;4;0;0;0;4;1098-0121;WOS:000311715100006;;;J;Kharitonov, Maxim;Antiferromagnetic state in bilayer graphene;PHYSICAL REVIEW B;86;19;195435;10.1103/PhysRevB.86.195435;NOV 30 2012;2012;Motivated by the recent experiment of Velasco Jr. et al. [J. Velasco Jr.;et al., Nat. Nanotechnology 7, 156 (2012)], we develop a mean-field;theory of the interaction-induced antiferromagnetic (AF) state in;bilayer graphene at charge neutrality point at arbitrary perpendicular;magnetic field B. We demonstrate that the AF state can persist at all B.;At higher B, the state continuously crosses over to the AF phase of the;nu = 0 quantum Hall ferromagnet, recently argued to be realized in the;insulating nu = 0 state. The mean-field quasiparticle gap is finite at B;= 0 and grows with increasing B, becoming quasilinear in the quantum;Hall regime, in accord with the reported behavior of the transport gap.;By adjusting the two free parameters of the model, we obtain a;simultaneous quantitative agreement between the experimental and;theoretical values of the key parameters of the gap dependence-its;zero-field value and slope at higher fields. Our findings suggest that;the insulating state observed in bilayer graphene in Ref. 1 is;antiferromagnetic (canted, once the Zeeman effect is taken into account);at all magnetic fields.;19;1;0;0;19;1098-0121;WOS:000311715000009;;;J;Klos, J. W.;Kumar, D.;Romero-Vivas, J.;Fangohr, H.;Franchin, M.;Krawczyk, M.;Barman, A.;Effect of magnetization pinning on the spectrum of spin waves in;magnonic antidot waveguides;PHYSICAL REVIEW B;86;18;184433;10.1103/PhysRevB.86.184433;NOV 30 2012;2012;We study the spin-wave spectra in magnonic antidot waveguides (MAWs) for;two limiting cases (strong and negligible) of the surface anisotropy at;the ferromagnet/air interface. The MAWs under investigation have the;form of a thin stripe of permalloy with a single row of periodically;arranged antidots in the middle. The introduction of a magnetization;pinning at the edges of the permalloy stripe and the edges of antidots;is found to modify the spin-wave spectrum. This effect is shown to be;necessary for magnonic gaps to open in the considered systems. Our study;demonstrates that the surface anisotropy can be crucial in the practical;applications of MAWs and related structures and in the interpretation of;experimental results in one-and two-dimensional magnonic crystals. We;used three different numerical methods, i.e., plane waves method (PWM),;finite difference method, and finite element method to validate the;results. We showed that PWM in the present formulation assumes pinned;magnetization, while in micromagnetic simulations special care must be;taken to introduce pinning.;Fangohr, Hans/C-6367-2008; Klos, Jaroslaw/G-9728-2012;Fangohr, Hans/0000-0001-5494-7193; Klos, Jaroslaw/0000-0002-5858-2950;13;2;0;0;13;1098-0121;WOS:000311714700002;;;J;Kolata, K.;Koester, N. S.;Chernikov, A.;Drexler, M. J.;Gatti, E.;Cecci, S.;Chrastina, D.;Isella, G.;Guzzi, M.;Chatterjee, S.;Dephasing in Ge/SiGe quantum wells measured by means of coherent;oscillations;PHYSICAL REVIEW B;86;20;201303;10.1103/PhysRevB.86.201303;NOV 30 2012;2012;We present a dephasing time analysis of the excitonic resonances in;Ge/SiGe quantum wells for various lattice temperatures by coherent;oscillation spectroscopy (COS). The results are compared to the;linewidths of the excitonic resonances determined from linear absorption;measurements. Additionally, COS is applied to different samples with;varying linewidth, identifying one sample with a dominating;homogeneously broadened 1s excitonic resonance down to 7 K.;Chatterjee, Sangam/E-3124-2012;2;0;0;0;2;1098-0121;WOS:000311715100003;;;J;Lang, Li-Jun;Chen, Shu;Majorana fermions in density-modulated p-wave superconducting wires;PHYSICAL REVIEW B;86;20;205135;10.1103/PhysRevB.86.205135;NOV 30 2012;2012;We study the p-wave superconducting wire with a periodically modulated;chemical potential and show that the Majorana edge states are robust;against the periodic modulation. We find that the critical amplitude of;modulated potential, at which the Majorana edge fermions and topological;phase disappear, strongly depends on the phase shifts. For some specific;values of the phase shift, the critical amplitude tends to infinity. The;existence of Majorana edge fermions in the open chain can be;characterized by a topological Z(2) invariant of the bulk system, which;can be applied to determine the phase boundary between the topologically;trivial and nontrivial superconducting phases. We also demonstrate the;existence of the zero-energy peak in the spectral function of the;topological superconducting phase, which is only sensitive to the open;boundary condition but robust against the disorder.;Lang, Li-Jun/C-2815-2014;Lang, Li-Jun/0000-0001-6038-8340;11;0;0;0;11;1098-0121;WOS:000311715100009;;;J;Lazicki, Amy;Dewaele, Agnes;Loubeyre, Paul;Mezouar, Mohamed;High-pressure-temperature phase diagram and the equation of state of;beryllium;PHYSICAL REVIEW B;86;17;174118;10.1103/PhysRevB.86.174118;NOV 30 2012;2012;X-ray diffraction of beryllium in a laser-heated diamond anvil cell;provides experimental insight into its behavior at high pressure and;temperature. We measure the cold compression of Be in helium and NaCl;pressure media up 192 GPa, and its thermal expansion up to 82 GPa and;2630 K. The new measurements form a P-V-T data set which is fit by the;Vinet-Debye form to establish a Be experimental equation of state. We;compare the results to several theoretical models. The crystal structure;of Be is determined up to 205 GPa and 4000 K; no evidence for the;predicted high-temperature transition to a cubic phase is found.;Finally, the maximum temperature stability of the solid phase along;isobaric heating ramps gives a lower bound for the melting curve.;5;0;0;0;5;1098-0121;WOS:000311714600002;;;J;Li, J.;Ekuma, C. E.;Vekhter, I.;Jarrell, M.;Moreno, J.;Stadler, S.;Karki, A. B.;Jin, R.;Physical properties of Ba2Mn2Sb2O single crystals;PHYSICAL REVIEW B;86;19;195142;10.1103/PhysRevB.86.195142;NOV 30 2012;2012;We report both experimental and theoretical investigations of the;physical properties of Ba2Mn2Sb2O single crystals. This material;exhibits a hexagonal structure with lattice constants a = 4.7029(15) A;and c = 19.9401(27) A, as obtained from powder x-ray diffraction;measurements, and in agreement with structural optimization through;density functional theory (DFT) calculations. The magnetic;susceptibility and specific heat show anomalies at T-N = 60 K,;consistent with antiferromagnetic ordering. However, the magnitude of;T-N is significantly smaller than the Curie-Weiss temperature (vertical;bar Theta(CW)vertical bar approximate to 560 K), suggesting a magnetic;system of reduced dimensionality. The temperature dependence of both the;in-plane and out-of-plane resistivity changes from activated at T > T-x;similar to 200 K to logarithmic at T < T-x. Correspondingly, the;magnetic susceptibility displays a bump at T-x. DFT calculations at the;DFT + U level support the experimental observation of an;antiferromagnetic ground state.;Vekhter, Ilya/M-1780-2013; Moreno, Juana/D-5882-2012;0;0;0;0;0;1098-0121;WOS:000311715000001;;;J;Mafra, D. L.;Kong, J.;Sato, K.;Saito, R.;Dresselhaus, M. S.;Araujo, P. T.;Using gate-modulated Raman scattering and electron-phonon interactions;to probe single-layer graphene: A different approach to assign phonon;combination modes;PHYSICAL REVIEW B;86;19;195434;10.1103/PhysRevB.86.195434;NOV 30 2012;2012;Gate-modulated and laser-dependent Raman spectroscopy have been widely;used to study q = 0 zone center phonon modes, their self-energy, and;their coupling to electrons in graphene systems. In this work we use;gate-modulated Raman of q not equal 0 phonons as a technique to;understand the nature of five second-order Raman combination modes;observed in the frequency range of 1700-2300 cm(-1) of single-layer;graphene (SLG). Anomalous phonon self-energy renormalization phenomena;are observed in all five combination modes within this intermediate;frequency region, which can clearly be distinguished from one another.;By combining the anomalous phonon renormalization effect with the double;resonance Raman theory, which includes both phonon dispersion relations;and angular dependence of the electron-phonon scattering matrix;elements, and by comparing it to the experimentally obtained phonon;dispersion, measured by using different laser excitation energies, we;can assign each Raman peak to the proper phonon combination mode. This;approach should also shed light on the understanding of more complex;structures such as few-layer graphene (FLG) and its stacking orders as;well as other two-dimensional (2D)-like materials.;Sato, Kentaro/B-7163-2008; Saito, Riichiro/B-1132-2008;Sato, Kentaro/0000-0001-6706-2175;;5;2;1;0;5;1098-0121;WOS:000311715000008;;;J;Mazza, Giacomo;Fabrizio, Michele;Dynamical quantum phase transitions and broken-symmetry edges in the;many-body eigenvalue spectrum;PHYSICAL REVIEW B;86;18;184303;10.1103/PhysRevB.86.184303;NOV 30 2012;2012;Many-body models undergoing a quantum phase transition to a;broken-symmetry phase that survives up to a critical temperature must;possess, in the ordered phase, symmetric as well as nonsymmetric;eigenstates. We predict, and explicitly show in the fully connected;Ising model in a transverse field, that these two classes of eigenstates;do not overlap in energy, and therefore that an energy edge exists;separating low-energy symmetry-breaking eigenstates from high-energy;symmetry-invariant ones. This energy is actually responsible, as we;show, for the dynamical phase transition displayed by this model under a;sudden large increase of the transverse field. A second situation we;consider is the opposite, where the symmetry-breaking eigenstates are;those in the high-energy sector of the spectrum, whereas the low-energy;eigenstates are symmetric. In that case too a special energy must exist;marking the boundary and leading to unexpected out-of-equilibrium;dynamical behavior. An example is the fermonic repulsive Hubbard model;Hamiltonian H. Exploiting the trivial fact that the high-energy spectrum;of H is also the low-energy one of -H, we conclude that the high-energy;eigenstates of the Hubbard model are superfluid. Simulating in a;time-dependent Gutzwiller approximation the time evolution of a;high-energy BCS-like trial wave function, we show that a small;superconducting order parameter will actually grow in spite of the;repulsive nature of the interaction.;fabrizio, michele/N-3762-2014;2;0;0;0;2;1098-0121;WOS:000311714700001;;;J;Mueller, T.;Aharonovich, I.;Wang, Z.;Yuan, X.;Castelletto, S.;Prawer, S.;Atatuere, M.;Phonon-induced dephasing of chromium color centers in diamond;PHYSICAL REVIEW B;86;19;195210;10.1103/PhysRevB.86.195210;NOV 30 2012;2012;We report on the coherence properties of single photons from;chromium-based color centers in diamond. We use field-correlation and;spectral line-shape measurements to reveal the interplay between slow;spectral wandering and fast dephasing mechanisms as a function of;temperature. The zero-phonon transition frequency and its linewidth;follow a power-law dependence on temperature, which is consistent with;direct electron-phonon coupling and phonon-modulated Coulomb coupling to;nearby impurities, which are the predominant fast dephasing mechanisms;for these centers. Further, the observed reduction in the quantum yield;for photon emission as a function of temperature suggests the opening of;additional nonradiative channels through thermal activation to;higher-energy states and indicates a near-unity quantum efficiency at 4;K.;castelletto, stefania/G-1516-2011; McKenzie, Warren/J-2137-2014;3;0;0;0;3;1098-0121;WOS:000311715000007;;;J;Murthy, Ganpathy;Shankar, R.;Hamiltonian theory of fractionally filled Chern bands;PHYSICAL REVIEW B;86;19;195146;10.1103/PhysRevB.86.195146;NOV 30 2012;2012;There is convincing numerical evidence that fractional quantum-Hall-like;ground states arise in fractionally filled Chern bands. Here, we show;that the Hamiltonian theory of composite fermions (CF) can be as useful;in describing these states as it was in describing the fractional;quantum Hall effect (FQHE) in the continuum. We are able to introduce;CFs into the fractionally filled Chern-band problem in two stages.;First, we construct an algebraically exact mapping which expresses the;electron density projected to the Chern band rho(FCB) as a sum of;Girvin-MacDonald-Platzman density operators rho(GMP) that obey the;magnetic translation algebra. Next, following our Hamiltonian treatment;of the FQH problem, we rewrite the operators rho(GMP) in terms of CF;variables which reproduce the same algebra. This naturally produces a;unique Hartree-Fock ground state for the CFs, which can be used as a;springboard for computing gaps, response functions,;temperature-dependent phenomena, and the influence of disorder. We give;two concrete examples, one of which has no analog in the continuum FQHE;with nu = 1/5 and sigma(xy) = 2/5. Our approach can be easily extended;to fractionally filled, strongly interacting two-dimensional;time-reversal-invariant topological insulators.;15;0;0;0;15;1098-0121;WOS:000311715000005;;;J;Ovsyannikov, Sergey V.;Morozova, Natalia V.;Karkin, Alexander E.;Shchennikov, Vladimir V.;High-pressure cycling of hematite alpha-Fe2O3: Nanostructuring, in situ;electronic transport, and possible charge disproportionation;PHYSICAL REVIEW B;86;20;205131;10.1103/PhysRevB.86.205131;NOV 30 2012;2012;We studied electronic transport properties of hematite (alpha-Fe2O3) at;room temperature under cycling of high pressure up to similar to 22 GPa.;The original samples and those recovered after high-pressure experiments;were examined by x-ray diffraction and Raman and optical absorption;spectroscopy. At ambient pressure the original samples were also;characterized by temperature measurements of electrical and;galvanomagnetic properties. Upon compression, the original single;crystals underwent a sluggish structural deconfinement starting above 5;GPa into a nanometric state. Above 5-7 GPa, the nanostructured hematite;showed a reversible transition to a state with enhanced electrical;conductivity and moderate values of thermoelectric power (Seebeck;effect) of about -150 mu V/K. This electronic phase corresponds to;neither conventional trivalent oxidation state of the iron ions in;hematite nor metallic conductivity. Analysis of the electronic transport;data in the frameworks of two models, of polaron hopping, and of;intrinsic semiconductor conductivity, revealed a change from the;electron conductivity to two-band electrical conductivity and suggested;that the observed enhancement of the electrical properties in;nanocrystalline alpha-Fe2O3 above 5-7 GPa is related to the;mixed-valence state of the iron ions. Since alpha-Fe2O3 is believed to;undergo a "spin-flop" (Morin) transition near 2-5 GPa at room;temperature, we discuss potential contributions of magnetoelastic and;other effects to the observed high-pressure properties of hematite.;Ovsyannikov, Sergey/J-7802-2012; Morozova, Natalia/J-3568-2013; Karkin, Alexander/J-6712-2013; Shchennikov, Vladimir/J-8533-2013;Morozova, Natalia/0000-0002-2377-1372; Karkin,;Alexander/0000-0003-0464-4762; Shchennikov, Vladimir/0000-0003-2887-1652;4;0;0;0;4;1098-0121;WOS:000311715100005;;;J;Pielawa, Susanne;Berg, Erez;Sachdev, Subir;Frustrated quantum Ising spins simulated by spinless bosons in a tilted;lattice: From a quantum liquid to antiferromagnetic order;PHYSICAL REVIEW B;86;18;184435;10.1103/PhysRevB.86.184435;NOV 30 2012;2012;We study spinless bosons in a decorated square lattice with a;near-diagonal tilt. The resonant subspace of the tilted Mott insulator;is described by an effective Hamiltonian of frustrated quantum Ising;spins on a nonbipartite lattice. This generalizes an earlier proposal;for the unfrustrated quantum Ising model in one dimension which was;realized in a recent experiment on ultracold Rb-87 atoms in an optical;lattice. Very close to diagonal tilt, we find a quantum liquid state;which is continuously connected to the paramagnet. Frustration can be;reduced by increasing the tilt angle away from the diagonal, and the;system undergoes a transition to an antiferromagnetically ordered state.;Using quantum Monte Carlo simulations and exact diagonalization, we find;that for realistic system sizes the antiferromagnetic order appears to;be quasi-one-dimensional, however, in the thermodynamic limit the order;is two-dimensional.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;1;0;0;0;1;1098-0121;WOS:000311714700004;;;J;Popov, V. V.;Polischuk, O. V.;Davoyan, A. R.;Ryzhii, V.;Otsuji, T.;Shur, M. S.;Plasmonic terahertz lasing in an array of graphene nanocavities;PHYSICAL REVIEW B;86;19;195437;10.1103/PhysRevB.86.195437;NOV 30 2012;2012;We propose a novel concept of terahertz lasing based on stimulated;generation of plasmons in a planar array of graphene resonant;micro/nanocavities strongly coupled to terahertz radiation. Due to the;strong plasmon confinement and superradiant nature of terahertz emission;by the array of plasmonic nanocavities, the amplification of terahertz;waves is enhanced by many orders of magnitude at the plasmon resonance;frequencies. We show that the lasing regime is ensured by the balance;between the plasmon gain and plasmon radiative damping.;Davoyan, Artur/K-8567-2013;Davoyan, Artur/0000-0002-4662-1158;15;0;0;0;15;1098-0121;WOS:000311715000011;;;J;Romanov, Sergei G.;Vogel, Nicolas;Bley, Karina;Landfester, Katharina;Weiss, Clemens K.;Orlov, Sergej;Korovin, Alexander V.;Chuiko, Gennady P.;Regensburger, Alois;Romanova, Alexandra S.;Kriesch, Arian;Peschel, Ulf;Probing guided modes in a monolayer colloidal crystal on a flat metal;film;PHYSICAL REVIEW B;86;19;195145;10.1103/PhysRevB.86.195145;NOV 30 2012;2012;Two-dimensional slab hybrid metal-dielectric photonic crystals, which;are prepared by assembling polymer colloidal spheres into closely packed;monolayers of hexagonal symmetry on a gold-coated glass substrate, show;an improved confinement of light compared with a colloidal monolayer on;a glass substrate. We demonstrated that the optical response of such;hybrid crystals consists of diffractively coupled waveguiding modes,;Fabry-Perot resonances, and Mie resonances. Correspondingly, two major;mechanisms, namely, band transport and hopping of localized excitations,;participate in the in-plane light transport in such hybrid crystals.;Weiss, Clemens/C-9932-2009; Peschel, Ulf/C-3356-2013; Romanov, Sergei/H-6868-2013; Kriesch, Arian/A-7337-2011;Weiss, Clemens/0000-0001-8559-0385; Romanov, Sergei/0000-0003-0546-9505;;Kriesch, Arian/0000-0002-8347-0344;6;1;0;0;6;1098-0121;WOS:000311715000004;;;J;Schoop, Leslie;Muechler, Lukas;Schmitt, Jennifer;Ksenofontov, Vadim;Medvedev, Sergey;Nuss, Juergen;Casper, Frederick;Jansen, Martin;Cava, R. J.;Felser, Claudia;Effect of pressure on superconductivity in NaAlSi;PHYSICAL REVIEW B;86;17;174522;10.1103/PhysRevB.86.174522;NOV 30 2012;2012;The ternary superconductor NaAlSi, isostructural with LiFeAs, the "111";iron pnictide superconductor, is investigated under pressure. The;structure remains stable up to 15 GPa. Resistivity and susceptibility;measurements show an increase of T-c up to 2 GPa, followed by a decrease;until superconductivity disappears at 4.8 GPa. Band structure;calculations show that pressure should have a negligible effect on the;electronic structure and the Fermi surface and thus the disappearance of;superconductivity under pressure must have a different origin. We;compare the electronic structure of NaAlSi under pressure with that of;nonsuperconducting isostructural NaAlGe.;Felser, Claudia/A-5779-2009; Casper, Frederick/A-5782-2009; Nuss, Juergen/G-2711-2010; Muchler, Lukas/A-4628-2013; Schoop, Leslie/A-4627-2013;Nuss, Juergen/0000-0002-0679-0184; Schoop, Leslie/0000-0003-3459-4241;1;0;0;0;1;1098-0121;WOS:000311714600006;;;J;Schwier, E. F.;Scherwitzl, R.;Vydrova, Z.;Garcia-Fernandez, M.;Gibert, M.;Zubko, P.;Garnier, M. G.;Triscone, J. -M.;Aebi, P.;Unusual temperature dependence of the spectral weight near the Fermi;level of NdNiO3 thin films;PHYSICAL REVIEW B;86;19;195147;10.1103/PhysRevB.86.195147;NOV 30 2012;2012;We investigate the behavior of the spectral weight near the Fermi level;of NdNiO3 thin films as a function of temperature across the;metal-to-insulator transition (MIT) by means of ultraviolet;photoelectron spectroscopy. The spectral weight was found to exhibit;thermal hysteresis, similar to that of the dc conductivity. A detailed;analysis of the temperature dependence reveals two distinct regimes of;spectral loss close to the Fermi level. The temperature evolution of one;regime is found to be independent of the MIT.;Garcia-Fernandez, Mirian/B-6018-2013; Zubko, Pavlo/B-5496-2009;Zubko, Pavlo/0000-0002-7330-3163;2;0;0;0;2;1098-0121;WOS:000311715000006;;;J;Sen, Arnab;Damle, Kedar;Moessner, R.;Vacancy-induced spin textures and their interactions in a classical spin;liquid;PHYSICAL REVIEW B;86;20;205134;10.1103/PhysRevB.86.205134;NOV 30 2012;2012;Motivated by experiments on the archetypal frustrated magnet;SrCr9pGa12-9pO19 (SCGO), we study the classical Heisenberg model on the;pyrochlore slab (kagome bilayer) lattice with site dilution x = 1 - p.;This allows us to address generic aspects of the physics of nonmagnetic;vacancies in a classical spin liquid. We explicitly demonstrate that the;pure (x = 0) system remains a spin liquid down to the lowest;temperatures, with an unusual nonmonotonic temperature dependence of the;susceptibility, which even turns diamagnetic for the apical spins;between the two kagome layers. For x > 0 but small, the low-temperature;magnetic response of the system is most naturally described in terms of;the properties of spatially extended spin textures that cloak an;"orphan" S = 3/2 Cr3+ spin in direct proximity to a pair of missing;sites belonging to the same triangular simplex. In the T -> 0 limit,;these orphan-texture complexes each carry a net magnetization that is;exactly half the magnetic moment of an individual spin of the undiluted;system. Furthermore, we demonstrate that they interact via an entropic;temperature-dependent pairwise exchange interaction J(eff) (T,(r) over;right arrow) similar to T J ((r) over right arrow root T) that has a;logarithmic form at short distances and decays exponentially beyond a;thermal correlation length xi(T) similar to 1/root T. The sign of J(eff);depends on whether the two orphan spins belong to the same kagome layer;or not. We provide a detailed analytical account of these properties;using an effective field theory approach specifically tailored for the;problem at hand. These results are in quantitative agreement with;large-scale Monte Carlo numerics.;3;1;0;0;3;1098-0121;WOS:000311715100008;;;J;Solanki, Ravindra Singh;Mishra, S. K.;Senyshyn, Anatoliy;Ishii, I.;Moriyoshi, Chikako;Suzuki, Takashi;Kuroiwa, Yoshihiro;Pandey, Dhananjai;Antiferrodistortive phase transition in pseudorhombohedral;(Pb0.94Sr0.06)( Zr0.550Ti0.450)O-3: A combined synchrotron x-ray and;neutron powder diffraction study;PHYSICAL REVIEW B;86;17;174117;10.1103/PhysRevB.86.174117;NOV 30 2012;2012;The controversies about the structure of the true ground state of;pseudorhombohedral compositions of Pb(ZrxTi1-x)O-3 (PZT) are addressed;using a 6% Sr2+ substituted sample with x = 0.550. Sound velocity;measurements reveal a phase transition at T-c similar to 279 K. The;temperature dependence of full width at half maximum of (h00)(pc) peaks;and the unit cell volume also show anomalies around 279 K even though;there is no indication of any change of space group in the synchrotron;x-ray powder diffraction (SXRD) patterns. The neutron powder diffraction;patterns reveal appearance of superlattice peaks below T-c similar to;279 K, confirming the existence of an antiferrodistortive phase;transition. The Rietveld analysis of the room-temperature and;low-temperature SXRD data below T-c shows that the structure corresponds;to single monoclinic phase in the Cm space group while the analysis of;neutron powder diffraction data reveals that the structure of the;ground-state phase below T-c corresponds to the Cc space group. Our;analysis shows that the structural models for the ground-state phase;based on the R3c space group with or without the coexistence of the;room-temperature monoclinic phase in the Cm space group can be rejected.;SOLANKI, RAVINDRA /H-7221-2013; Senyshyn, Anatoliy/C-8267-2014;Senyshyn, Anatoliy/0000-0002-1473-8992;3;0;0;0;3;1098-0121;WOS:000311714600001;;;J;Steinke, N. -J.;Moore, T. A.;Mansell, R.;Bland, J. A. C.;Barnes, C. H. W.;Nonuniversal dynamic magnetization reversal in the Barkhausen-dominated;and mesofrequency regimes;PHYSICAL REVIEW B;86;18;184434;10.1103/PhysRevB.86.184434;NOV 30 2012;2012;Dynamic magnetization reversal in the mesofrequency range is studied by;ac magneto-optical Kerr effect (ac-MOKE) and ac anisotropic;magnetoresistance (ac-AMR) magnetometry in a series of epitaxial and;polycrystalline thin magnetic films. The dynamic coercive field was;found to scale as a power law with scaling exponents <= 1/2 depending on;the ferromagnetic material. In addition, there is a low sweep rate;regime in which the dynamic coercivity reaches a minimum. These findings;are explained in the context of reversal proceeding by motion of a few;domain walls (similar to 1). At dc and low field sweep rates the;reversal proceeds between local pinning sites via Barkhausen avalanches;and the overall reversal speed is strongly dependent on the field sweep;rate. At higher field sweep rates a continuous motion regime is entered;in which the reversal velocity depends linearly on the applied field;sweep rate and only an average pinning force is experienced by the wall.;The fit of the dynamic coercivity vs applied field sweep rate allows the;determination of the average nonlocal pinning field. The nonuniversal;scaling exponent can be explained using recently developed models and;introducing a field rate-dependent number of active domain walls.;Mansell, Rhodri/A-1450-2013;2;0;0;0;2;1098-0121;WOS:000311714700003;;;J;Stoffel, M.;Fagot-Revurat, Y.;Tejeda, A.;Kierren, B.;Nicolaou, A.;Le Fevre, P.;Bertran, F.;Taleb-Ibrahimi, A.;Malterre, D.;Electron-phonon coupling on strained Ge/Si(111)-(5x5) surfaces;PHYSICAL REVIEW B;86;19;195438;10.1103/PhysRevB.86.195438;NOV 30 2012;2012;We investigate the structural and electronic properties of strained;Ge/Si(111)-(5 x 5) surfaces by means of scanning tunneling microscopy;and high-resolution angle-resolved photoemission spectroscopy. The;homogeneous (5 x 5) reconstructed overlayers are characterized by three;electronic surface states, similar to the Si(111)-(7 x 7) surface. The;dispersion of the dangling bond related surface state exhibits the same;periodicity as that of the (5 x 5) reconstruction. Moreover, a careful;analysis of the shape and width of this surface state provides striking;evidence of electron-phonon coupling at low temperatures. By considering;the spectral function within a simple Debye model, we determine both the;Debye energy and the electron-phonon coupling strength. The latter value;is further confirmed by analyzing the temperature-dependent phonon;broadening of the dangling bond related surface state linewidth.;BERTRAN, Francois/B-7515-2008; Tejeda, Antonio/C-4711-2014;BERTRAN, Francois/0000-0002-2416-0514; Tejeda,;Antonio/0000-0003-0125-4603;1;0;0;0;1;1098-0121;WOS:000311715000012;;;J;Turek, I.;Kudrnovsky, J.;Carva, K.;Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from;ab initio alloy theory;PHYSICAL REVIEW B;86;17;174430;10.1103/PhysRevB.86.174430;NOV 30 2012;2012;We present results of systematic fully relativistic first-principles;calculations of the uniaxial magnetic anisotropy energy (MAE) of a;disordered and partially ordered tetragonal Fe-Co alloy using the;coherent potential approximation (CPA). This alloy has recently become a;promising system for thin ferromagnetic films with a perpendicular;magnetic anisotropy. We find that existing theoretical approaches to;homogeneous random bulk Fe-Co alloys, based on a simple virtual crystal;approximation (VCA), overestimate the maximum MAE values obtained in the;CPA by a factor of 4. This pronounced difference is ascribed to the;strong disorder in the minority spin channel of real alloys, which is;neglected in the VCA and which leads to a broadening of the d-like;eigenstates at the Fermi energy and to the reduction of the MAE. The;ordered Fe-Co alloys with a maximum L1(0)-like atomic long-range order;can exhibit high values of the MAE, which, however, get dramatically;reduced by small perturbations of the perfect order.;Carva, Karel/A-3703-2008; Turek, Ilja/G-5553-2014; KUDRNOVSKY, Josef/G-5581-2014;KUDRNOVSKY, Josef/0000-0002-9968-6748;10;0;0;0;10;1098-0121;WOS:000311714600004;;;J;Uppstu, Andreas;Harju, Ari;High-field magnetoresistance revealing scattering mechanisms in graphene;PHYSICAL REVIEW B;86;20;201409;10.1103/PhysRevB.86.201409;NOV 30 2012;2012;We show that the type of charge carrier scattering significantly affects;the high-field magnetoresistance of graphene nanoribbons. This effect;has the potential to be used in identifying the scattering mechanisms in;graphene. The results also provide an explanation for the experimentally;found, intriguing differences in the behavior of the magnetoresistance;of graphene Hall bars placed on different substrates. Additionally, our;simulations indicate that the peaks in the longitudinal resistance tend;to become pinned to fractionally quantized values, as different;transport modes have very different scattering properties.;Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;1;0;0;0;1;1098-0121;WOS:000311715100004;;;J;White, Alexander J.;Sukharev, Maxim;Galperin, Michael;Molecular nanoplasmonics: Self-consistent electrodynamics in;current-carrying junctions;PHYSICAL REVIEW B;86;20;205324;10.1103/PhysRevB.86.205324;NOV 30 2012;2012;We consider a biased molecular junction subjected to an external;time-dependent electromagnetic field. We discuss local field formation;due to both surface plasmon-polariton excitations in the contacts and;the molecular response. Employing realistic parameters we demonstrate;that such self-consistent treatment is crucial for the proper;description of the junction transport characteristics.;White, Alexander/D-8754-2014;White, Alexander/0000-0002-7771-3899;3;0;0;0;3;1098-0121;WOS:000311715100010;;;J;Wierschem, Keola;Kato, Yasuyuki;Nishida, Yusuke;Batista, Cristian D.;Sengupta, Pinaki;Magnetic and nematic orderings in spin-1 antiferromagnets with;single-ion anisotropy;PHYSICAL REVIEW B;86;20;201108;10.1103/PhysRevB.86.201108;NOV 30 2012;2012;We study a spin-1 Heisenberg model with exchange interaction J, uniaxial;single-ion exchange anisotropy D, and Zeeman coupling to a magnetic;field B parallel to the symmetry axis. We compute the (D/J, B/J) quantum;phase diagram for square and simple cubic lattices by combining;analytical and quantum Monte Carlo approaches, and find a transition;between XY antiferromagnetic and ferronematic phases that spontaneously;break the U(1) symmetry of the model. In the language of bosonic gases,;this is a transition between a Bose-Einstein condensate (BEC) of single;bosons and a BEC of pairs. Our work opens up new avenues for measuring;this transition in real magnets.;8;0;0;0;8;1098-0121;WOS:000311715100001;;;J;Wu, Chien-Te;Valls, Oriol T.;Halterman, Klaus;Proximity effects in conical-ferromagnet/superconductor bilayers;PHYSICAL REVIEW B;86;18;184517;10.1103/PhysRevB.86.184517;NOV 30 2012;2012;We present a study of various aspects of proximity effects in F/S;(ferromagnet/superconductor) bilayers, where F has a spiral magnetic;texture such as that found in holmium, erbium, and other materials, and;S is a conventional s-wave superconductor. We numerically solve the;Bogoliubov-de Gennes (BdG) equations self-consistently and use the;solutions to compute physical quantities relevant to the proximity;effects in these bilayers. We obtain the relation between the;superconducting transition temperature T-c and the thicknesses d(F) of;the magnetic layer by solving the linearized BdG equations. We find that;the T-c (d(F)) curves include multiple oscillations. Moreover, the;system may be reentrant not only with d(F), as is the case when the;magnet is uniform, but also with temperature T : the superconductivity;disappears in certain ranges of d(F) or T. The T reentrance reported;here occurs when d(F) is larger than the spatial period of the conical;exchange field. We compute the condensation free energies and entropies;from the full BdG equations and find the results are in agreement with;T-c values obtained by linearization. The inhomogeneous nature of the;magnet makes it possible for all odd triplet pairing components to be;induced. We have investigated their properties and found that, as;compared to the singlet amplitude, both the m = 0 and +/- 1 triplet;components exhibit long-range penetration. For nanoscale bilayers, the;proximity lengths for both layers are also obtained. These lengths;oscillate with d(F) and they are found to be long range on both sides.;These results are shown to be consistent with recent experiments. We;also calculate the reverse proximity effect described by the;three-dimensional local magnetization, and the local density of states,;which reveals important energy-resolved signatures associated with the;proximity effects.;6;0;0;0;6;1098-0121;WOS:000311714700005;;;J;Altarelli, M.;Kurta, R. P.;Vartanyants, I. A.;X-ray cross-correlation analysis and local symmetries of disordered;systems: General theory (vol 82, 104207, 2010);PHYSICAL REVIEW B;86;17;179904;10.1103/PhysRevB.86.179904;NOV 29 2012;2012;1;0;0;0;1;1098-0121;WOS:000311693600006;;;J;Beheshtian, J.;Sadeghi, A.;Neek-Amal, M.;Michel, K. H.;Peeters, F. M.;Induced polarization and electronic properties of carbon-doped boron;nitride nanoribbons;PHYSICAL REVIEW B;86;19;195433;10.1103/PhysRevB.86.195433;NOV 29 2012;2012;The electronic properties of boron nitride nanoribbons (BNNRs) doped;with a line of carbon atoms are investigated using density functional;calculations. By replacing a line of alternating B and N atoms with;carbons, three different configurations are possible depending on the;type of the atoms which bond to the carbons. We found very different;electronic properties for these configurations: (i) the NCB arrangement;is strongly polarized with a large dipole moment having an unexpected;direction, (ii) the BCB and NCN arrangements are nonpolar with zero;dipole moment, (iii) the doping by a carbon line reduces the band gap;regardless of the local arrangement of the borons and the nitrogens;around the carbon line, and (iv) the polarization and energy gap of the;carbon-doped BNNRs can be tuned by an electric field applied parallel to;the carbon line. Similar effects were found when either an armchair or;zigzag line of carbon was introduced.;Sadeghi, Ali/D-1554-2013;8;0;0;0;8;1098-0121;WOS:000311694200006;;;J;Chi, Hang;Kim, Hyoungchul;Thomas, John C.;Su, Xianli;Stackhouse, Stephen;Kaviany, Massoud;Van der Ven, Anton;Tang, Xinfeng;Uher, Ctirad;Configuring pnicogen rings in skutterudites for low phonon conductivity;PHYSICAL REVIEW B;86;19;195209;10.1103/PhysRevB.86.195209;NOV 29 2012;2012;Dominant heat-carrying modes in skutterudites are associated with;vibrations of the pnicogen rings. Apart from filling the structural;cages with foreign species, disrupting the pnicogen ring structure by;substitutional alloying should be an effective approach to reduce;thermal conductivity. In this paper we explore alloying configurations;of pnicogen rings (Sb rings in the case of CoSb3) that yield;particularly low values of the thermal conductivity. We find that IV-VI;double substitution (replacing two Sb atoms with one atom each from the;column IV and column VI elements to achieve an average charge of two Sb;atoms) is a very effective approach. Our ab initio calculations, in;combination with a cluster expansion, have allowed us to identify stable;alloy configurations on the Sb rings. Subsequent molecular and lattice;dynamics simulations on low energy configurations establish the range of;atomic displacement parameters and values of the thermal conductivity.;Theoretical results are in good agreement with our experimental thermal;conductivity values. Combining both approaches of compensated double;substitution and filling of structural cages should be an effective way;of improving the thermoelectric figure of merit of skutterudites.;Su, Xianli/A-9685-2012; Chi, Hang/F-1537-2011; Thomas, John/A-2764-2009; Kim, Hyoungchul/F-2557-2014;Chi, Hang/0000-0002-1299-1150; Thomas, John/0000-0002-3162-0152; Kim,;Hyoungchul/0000-0003-3109-660X;8;0;0;0;8;1098-0121;WOS:000311694200003;;;J;Fortmann, C.;Niemann, C.;Glenzer, S. H.;Theory of x-ray scattering in high-pressure electrides;PHYSICAL REVIEW B;86;17;174116;10.1103/PhysRevB.86.174116;NOV 29 2012;2012;We report on a theoretical model for the calculation of x-ray scattering;from high-pressure electrides. By treating interstitial electrons as;effective anions forming a sublattice within the crystal, we explicitly;account for Bragg reflections from the sublattice as well as for;scattering interferences between the ion lattice and the anion;sublattice. The additional reflections and interferences lead to;significant modifications of the static structure factor as compared to;the pure lattices. Our results are important for accurate calculations;of material properties in the high-pressure phase and allow for direct;experimental verification of electride phases in matter at ultrahigh;pressures through angle-resolved x-ray scattering.;2;0;0;0;2;1098-0121;WOS:000311693600001;;;J;Guclu, Caner;Campione, Salvatore;Capolino, Filippo;Hyperbolic metamaterial as super absorber for scattered fields generated;at its surface;PHYSICAL REVIEW B;86;20;205130;10.1103/PhysRevB.86.205130;NOV 29 2012;2012;We show that hyperbolic metamaterials (HMs) that exhibit hyperbolic;wave-vector dispersion diagrams possess two important features related;to super absorption: The total power scattered by a nanosphere is (i);greatly enhanced when placed at the HM surface, compared to other;material surfaces, and (ii) almost totally directed into the HM. We show;that these two features are peculiar of HM interfaces, and we support;them using a spectral theory study of transverse-electric and magnetic;waves scattered by a subwavelength nanosphere. We analyze the;nanosphere's scattered power absorbed by various substrate;configurations. We also consider various nanosphere materials.;22;0;0;0;22;1098-0121;WOS:000311694300002;;;J;Hebbache, M.;Entanglement of electron spins and geometric phases in the diamond color;center coupled to the P1 center;PHYSICAL REVIEW B;86;19;195316;10.1103/PhysRevB.86.195316;NOV 29 2012;2012;Impurity spins in semiconductors are potential quantum bits.;Entanglement and topological phases are key resources in quantum;computation. We prove that the coupled electron spins carried by a;diamond nitrogen-vacancy color center (NV-) and a single substitutional;nitrogen impurity (P1 center) are entangled in the immediate vicinity of;the level anticrossing that appears in the Zeeman energy diagram at;about 500 G. We also determine the Aharonov-Anandan, Berry, and marginal;geometric phases that can be accumulated by the state vectors of this;spin system when it is magnetically transported around a closed path. At;the resonance where the gap between two energy levels is minimum, the;geometric phases undergo discontinuities, and the entanglement of the;two electron spins is maximal.;2;0;0;0;2;1098-0121;WOS:000311694200004;;;J;Kerdsongpanya, Sit;Alling, Bjorn;Eklund, Per;Effect of point defects on the electronic density of states of ScN;studied by first-principles calculations and implications for;thermoelectric properties;PHYSICAL REVIEW B;86;19;195140;10.1103/PhysRevB.86.195140;NOV 29 2012;2012;We have investigated the effect of defects and impurities on the;electronic density of states of scandium nitride using first-principles;calculations with the generalized gradient approximation and hybrid;functionals for the exchange correlation energy. Our results show that;Sc and N vacancies can introduce asymmetric peaks in the density of;states close to the Fermi level. We also find that the N vacancy states;are sensitive to total electron concentration of the system due to their;possibility for spin polarization. Substitutional point defects shift;the Fermi level in the electronic band according to their valence but do;not introduce sharp features. The energetics and electronic structure of;defect pairs are also studied. By using hybrid functional calculations,;a correct description of the band gap of scandium nitride is obtained.;Our results envisage ways for improving the thermoelectric figure of;merit of ScN by electronic structure engineering through stoichiometry;tuning and doping.;Eklund, Per/B-7677-2011; Alling, Bjorn/I-3193-2012;Eklund, Per/0000-0003-1785-0864; Alling, Bjorn/0000-0001-5863-5605;8;0;0;0;8;1098-0121;WOS:000311694200001;;;J;Kim, Jiseok;Fischetti, Massimo V.;Aboud, Shela;Structural, electronic, and transport properties of silicane nanoribbons;PHYSICAL REVIEW B;86;20;205323;10.1103/PhysRevB.86.205323;NOV 29 2012;2012;Silicane ribbons do not suffer from aromatic dependence of the band gap;making them a more promising candidate for near-term nanoelectronic;application compared to armchair graphene nanoribbons. The structural,;electronic, and transport properties of free-standing sp(3)-hybridized;armchair- and zigzag-edge silicane nanoribbons have been investigated;using ab initio and nonlocal empirical pseudopotential calculations.;Under ambient conditions, two-dimensional silicane sheets will;spontaneously break into stable one-dimensional ribbons similar to;density functional theory studies of graphene ribbons. The calculated;low-field electron mobility and ballistic conductance show a strong edge;dependence, due to differences in the effective mass and momentum;relaxation rates along the two transport directions. The mobility in;zigzag-edge ribbons is found to be approximately twenty times higher;than in armchair-edge ribbons.;7;0;0;0;7;1098-0121;WOS:000311694300004;;;J;Kim, Kyou-Hyun;Payne, David A.;Zuo, Jian-Min;Symmetry of piezoelectric (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (x=0.31);single crystal at different length scales in the morphotropic phase;boundary region;PHYSICAL REVIEW B;86;18;184113;10.1103/PhysRevB.86.184113;NOV 29 2012;2012;We use probes of three different length scales to examine symmetry of (1;- x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) single crystals in the;morphotropic phase boundary (MPB) region at composition x = 0.31;(PMN-31% PT). On the macroscopic scale, x-ray diffraction (XRD) shows a;mixture of strong and weak diffraction peaks of different widths. The;closest match to XRD peak data is made with monoclinic Pm (M-C);symmetry. On the local scale of a few nanometers, convergent beam;electron diffraction (CBED) studies, with a 1.6-nm electron probe,;reveal no obvious symmetry. These CBED experimental patterns can be;approximately matched with simulations based on monoclinic symmetry,;which suggests locally distorted monoclinic structure. A monoclinic Cm;(M-A or M-B)-like symmetry could also be obtained from certain regions;of the crystal by using a larger electron probe size of several tens of;nanometers in diameter. Thus the monoclinic symmetry of single crystal;PMN-31% PT is developed only in parts of the crystal by averaging over;locally distorted structure on the scale of few tens of nanometers. The;macroscopic symmetry observed by XRD is a result of averaging from the;local structure in PMN-31% PT single crystal. The lack of local symmetry;at a few nanometers scale suggests that the polarization switching;results from a change in local displacements, which are not restricted;to specific symmetry planes or directions.;2;0;0;0;2;1098-0121;WOS:000311693900002;;;J;Kossacki, P.;Faugeras, C.;Kuehne, M.;Orlita, M.;Mahmood, A.;Dujardin, E.;Nair, R. R.;Geim, A. K.;Potemski, M.;Circular dichroism of magnetophonon resonance in doped graphene;PHYSICAL REVIEW B;86;20;205431;10.1103/PhysRevB.86.205431;NOV 29 2012;2012;The polarization-resolved Raman-scattering response due to E-2g phonons;in monolayer graphene has been investigated in magnetic fields up to 29;T. The hybridization of the E-2g phonon is only observed with the;fundamental inter-Landau-level excitation (involving the n = 0 Landau;level) and in just one of the two configurations of the circularly;cross-polarized excitation and scattered light. This polarization;anisotropy of the magnetophonon resonance is shown to be inherent to;relatively strongly doped graphene samples with carrier concentrations;typical for graphene deposited on Si/SiO2 substrates.;Dujardin, Erik/A-2748-2010; Raveendran Nair, Rahul/G-5839-2010; Orlita, Milan/H-1130-2014;Dujardin, Erik/0000-0001-7242-9250;;3;0;0;0;3;1098-0121;WOS:000311694300005;;;J;Kostylev, M.;Stashkevich, A. A.;Roussigne, Y.;Grigoryeva, N. A.;Mistonov, A. A.;Menzel, D.;Sapoletova, N. A.;Napolskii, K. S.;Eliseev, A. A.;Lukashin, A. V.;Grigoriev, S. V.;Samarin, S. N.;Microwave properties of Ni-based ferromagnetic inverse opals;PHYSICAL REVIEW B;86;18;184431;10.1103/PhysRevB.86.184431;NOV 29 2012;2012;Investigations of microwave properties of Ni-based inverse ferromagnetic;opal-like film with the [111] axis of the fcc structure along the normal;direction to the film have been carried out in the 2-18 GHz frequency;band. We observed multiple spin wave resonances for the magnetic field;applied perpendicular to the film, i.e., along the [111] axis of this;artificial crystal. For the field applied in the film plane, a broad;band of microwave absorption is observed, which does not contain a fine;structure. The field ranges of the responses observed are quite;different for these two magnetization directions. This suggests a;collective magnetic ground state or shape anisotropy and collective;microwave dynamics for this foam-like material. This result is in;agreement with SQUID measurements of hysteresis loops for the material.;Two different models for this collective behavior are suggested that;satisfactorily explain the major experimental results.;Lukashin, Alexey/F-6746-2013; Mistonov, Alexander/H-2098-2013; Grigoryeva, Natalia/K-2253-2013; Kostylev, Mikhail/H-5214-2014;Mistonov, Alexander/0000-0003-0138-3579; Grigoryeva,;Natalia/0000-0002-9910-6192;;1;0;0;0;1;1098-0121;WOS:000311693900004;;;J;Kvashnin, Y. O.;Khmelevskyi, S.;Kudrnovsky, J.;Yaresko, A. N.;Genovese, L.;Bruno, P.;Noncollinear magnetic ordering in compressed FePd3 ordered alloy: A;first principles study;PHYSICAL REVIEW B;86;17;174429;10.1103/PhysRevB.86.174429;NOV 29 2012;2012;By means of ab initio calculations based on the density functional;theory we investigated the magnetic phase diagram of ordered FePd3 alloy;as a function of external pressure. Considering several magnetic;configurations we concluded that the system under pressure has a;tendency toward noncollinear spin alignment. Analysis of the Heisenberg;exchange parameters J(ij) revealed strong dependence of iron-iron;magnetic couplings on polarization of Pd atoms. To take into account;that effect we built an extended Heisenberg model with higher order;(biquadratic) terms. Minimizing the energy of this Hamiltonian, fully;parametrized using the results of ab initio calculations, we found a;candidate for a ground state of compressed FePd3, which can be seen as;two interpenetrating "triple-Q" phases.;Genovese, Luigi/C-5937-2011; Bruno, Patrick/C-9159-2009; KUDRNOVSKY, Josef/G-5581-2014;Genovese, Luigi/0000-0003-1747-0247; Bruno, Patrick/0000-0002-2574-1943;;KUDRNOVSKY, Josef/0000-0002-9968-6748;1;0;0;0;1;1098-0121;WOS:000311693600004;;;J;Li, Wu;Lindsay, L.;Broido, D. A.;Stewart, Derek A.;Mingo, Natalio;
19:4:30     Microscopic mechanism of low thermal conductivity in lead telluride
DOI:10.1103/PhysRevB.85.155203  JN:PHYSICAL REVIEW B  PY:2012
  TC:27  AU: Shiga, Takuma;Shiomi, Junichiro;Ma, Jie;Delaire, Olivier;Radzynski, Tomasz;Lusakowski, Andrzej;Esfarjani, Keivan;Chen, Gang;
19:4:31     Thermal conductivity of bulk and nanowire InAs, AlN, and BeO polymorphs from first principles
DOI:10.1063/1.4827419  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:9  AU: Li, Wu;Mingo, Natalio;
19:4:32     Experimental Investigation of Size Effects on the Thermal Conductivity of Silicon-Germanium Alloy Thin Films
DOI:10.1103/PhysRevLett.109.195901  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:17  AU: Cheaito, Ramez;Duda, John C.;Beechem, Thomas E.;Hattar, Khalid;Ihlefeld, Jon F.;Medlin, Douglas L.;Rodriguez, Mark A.;Campion, Michael J.;Piekos, Edward S.;Hopkins, Patrick E.;
19:4:33     High Thermal Conductivity in Short-Period Superlattices
DOI:10.1021/nl202186y  JN:NANO LETTERS  PY:2011
  TC:32  AU: Garg, Jivtesh;Bonini, Nicola;Marzari, Nicola;
19:4:34     Non-diffusive relaxation of a transient thermal grating analyzed with the Boltzmann transport equation
DOI:10.1063/1.4820572  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:10  AU: Collins, Kimberlee C.;Maznev, Alexei A.;Tian, Zhiting;Esfarjani, Keivan;Nelson, Keith A.;Chen, Gang;
19:4:35     Phonon Lifetime Investigation of Anharmonicity and Thermal Conductivity of UO2 by Neutron Scattering and Theory
DOI:10.1103/PhysRevLett.110.157401  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:25  AU: Pang, Judy W. L.;Buyers, William J. L.;Chernatynskiy, Aleksandr;Lumsden, Mark D.;Larson, Bennett C.;Phillpot, Simon R.;
19:4:36     Role of Surface-Segregation-Driven Intermixing on the Thermal Transport through Planar Si/Ge Superlattices
DOI:10.1103/PhysRevLett.111.115901  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:10  AU: Chen, Peixuan;Katcho, N. A.;Feser, J. P.;Li, Wu;Glaser, M.;Schmidt, O. G.;Cahill, David G.;Mingo, N.;Rastelli, A.;
19:4:37     Phonon thermal transport in Bi2Te3 from first principles
DOI:10.1103/PhysRevB.90.134309  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Hellman, Olle;Broido, David A.;
19:4:38     Analytical interpretation of nondiffusive phonon transport in thermoreflectance thermal conductivity measurements
DOI:10.1103/PhysRevB.90.064302  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Regner, K. T.;McGaughey, A. J. H.;Malen, J. A.;
19:4:39     Alloy enhanced anisotropy in the thermal conductivity of SixGe1-x nanowires
DOI:10.1063/1.4817523  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:7  AU: Li, Wu;Mingo, Natalio;
19:4:40     Quasiballistic heat transfer studied using the frequency-dependent Boltzmann transport equation
DOI:10.1103/PhysRevB.84.235207  JN:PHYSICAL REVIEW B  PY:2011
  TC:22  AU: Minnich, A. J.;Chen, G.;Mansoor, S.;Yilbas, B. S.;
19:4:41     Thermal conductivity of bulk nanostructured lead telluride
DOI:10.1063/1.4862323  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Hori, Takuma;Chen, Gang;Shiomi, Junichiro;
19:4:42     Onset of size effect in lattice thermal conductivity of thin films
DOI:10.1063/1.4795601  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:7  AU: Maznev, A. A.;
19:4:43     Onset of nondiffusive phonon transport in transient thermal grating decay
DOI:10.1103/PhysRevB.84.195206  JN:PHYSICAL REVIEW B  PY:2011
  TC:12  AU: Maznev, A. A.;Johnson, Jeremy A.;Nelson, Keith A.;
19:4:44     Two-channel model for nonequilibrium thermal transport in pump-probe experiments
DOI:10.1103/PhysRevB.88.144305  JN:PHYSICAL REVIEW B  PY:2013
  TC:6  AU: Wilson, R. B.;Feser, Joseph P.;Hohensee, Gregory T.;Cahill, David G.;
19:4:45     Disruption of superlattice phonons by interfacial mixing
DOI:10.1103/PhysRevB.88.155311  JN:PHYSICAL REVIEW B  PY:2013
  TC:0  AU: Huberman, Samuel C.;Larkin, Jason M.;McGaughey, Alan J. H.;Amon, Cristina H.;
19:4:46     Efficient simulation of multidimensional phonon transport using energy-based variance-reduced Monte Carlo formulations
DOI:10.1103/PhysRevB.84.205331  JN:PHYSICAL REVIEW B  PY:2011
  TC:16  AU: Peraud, Jean-Philippe M.;Hadjiconstantinou, Nicolas G.;
19:4:47     Coherent and incoherent thermal transport in nanomeshes
DOI:10.1103/PhysRevB.89.205432  JN:PHYSICAL REVIEW B  PY:2014
  TC:1  AU: Ravichandran, Navaneetha K.;Minnich, Austin J.;
19:4:48     An enhanced Fourier law derivable from the Boltzmann transport equation and a sample application in determining the mean-free path of nondiffusive phonon modes
DOI:10.1063/1.4894087  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Ramu, Ashok T.;Ma, Yanbao;
19:4:49     Polar Effects on the Thermal Conductivity of Cubic Boron Nitride under Pressure
DOI:10.1103/PhysRevLett.113.025901  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:1  AU: Mukhopadhyay, Saikat;Stewart, Derek A.;
19:4:50     Phonon-isotope scattering and thermal conductivity in materials with a large isotope effect: A first-principles study
DOI:10.1103/PhysRevB.88.144306  JN:PHYSICAL REVIEW B  PY:2013
  TC:5  AU: Lindsay, L.;Broido, D. A.;Reinecke, T. L.;
19:4:51     Minimum thermal conductivity in superlattices: A first-principles formalism
DOI:10.1103/PhysRevB.87.140302  JN:PHYSICAL REVIEW B  PY:2013
  TC:6  AU: Garg, Jivtesh;Chen, Gang;
19:4:52     Thermal transport in 2-and 3-dimensional periodic "holey" nanostructures
DOI:10.1063/1.4904073  JN:AIP ADVANCES  PY:2014
  TC:1  AU: Ma, J.;Sadhu, J. S.;Ganta, D.;Tian, H.;Sinha, S.;
19:4:53     Heat conduction across a solid-solid interface: Understanding nanoscale interfacial effects on thermal resistance
DOI:10.1063/1.3607477  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:13  AU: Balasubramanian, Ganesh;Puri, Ishwar K.;
19:4:54     Radial quasiballistic transport in time-domain thermoreflectance studied using Monte Carlo simulations
DOI:10.1063/1.4870811  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:5  AU: Ding, D.;Chen, X.;Minnich, A. J.;
19:4:55     Ultraviolet Raman spectra of few nanometer thick silicon-on-insulator nanofilms: Lifetime reduction of confined phonons
DOI:10.1063/1.4898672  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Poborchii, Vladimir;Morita, Yukinori;Ishimaru, Manabu;Tada, Tetsuya;
19:4:56     Phonon transport analysis of silicon germanium alloys using molecular dynamics simulations
DOI:10.1063/1.4807301  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:8  AU: Hori, Takuma;Shiga, Takuma;Shiomi, Junichiro;
19:4:57     Effect of lattice mismatch on phonon transmission and interface thermal conductance across dissimilar material interfaces
DOI:10.1103/PhysRevB.86.054305  JN:PHYSICAL REVIEW B  PY:2012
  TC:12  AU: Li, Xiaobo;Yang, Ronggui;
19:4:58     Ab initio variational approach for evaluating lattice thermal conductivity
DOI:10.1103/PhysRevB.88.045430  JN:PHYSICAL REVIEW B  PY:2013
  TC:5  AU: Fugallo, Giorgia;Lazzeri, Michele;Paulatto, Lorenzo;Mauri, Francesco;
19:4:59     Thermal transport in SiGe superlattice thin films and nanowires: Effects of specimen and periodic lengths
DOI:10.1103/PhysRevB.87.115302  JN:PHYSICAL REVIEW B  PY:2013
  TC:6  AU: Lin, Keng-Hua;Strachan, Alejandro;
19:4:60     Transport regimes in quasiballistic heat conduction
DOI:10.1103/PhysRevB.89.094302  JN:PHYSICAL REVIEW B  PY:2014
  TC:4  AU: Hua, Chengyun;Minnich, Austin J.;
19:4:61     Size effects in thermal conduction by phonons
DOI:10.1103/PhysRevB.90.054301  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Allen, Philip B.;
19:4:62     Ultraviolet Raman spectra of single uncoated and SiO2-coated silicon-on-insulator nanowires: Phonon boundary scattering, wave-vector relaxation and stress
DOI:10.1063/1.4821781  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:1  AU: Poborchii, Vladimir;Tada, Tetsuya;Morita, Yukinori;Kanayama, Toshihiko;
19:4:63     Quenched Phonon Drag in Silicon Nanowires Reveals Significant Effect in the Bulk at Room Temperature
DOI:10.1021/acs.nanolett.5b00267  JN:NANO LETTERS  PY:2015
  TC:0  AU: Sadhu, Jyothi;Tian, Hongxiang;Ma, Jun;Azeredo, Bruno;Kim, Junhwan;Balasundaram, Karthik;Zhang, Chen;Li, Xiuling;Ferreira, P. M.;Sinha, S.;
19:4:64     An alternative approach to efficient simulation of micro/nanoscale phonon transport
DOI:10.1063/1.4757607  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:13  AU: Peraud, Jean-Philippe M.;Hadjiconstantinou, Nicolas G.;
19:4:65     Phonon-Mediated Thermal Conductivity in Ionic Solids by Lattice Dynamics-Based Methods
DOI:10.1111/j.1551-2916.2011.04743.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2011
  TC:12  AU: Chernatynskiy, Aleksandr;Turney, Joseph E.;McGaughey, Alan J. H.;Amon, Cristina H.;Phillpot, Simon R.;
19:4:66     A two-parameter nondiffusive heat conduction model for data analysis in pump-probe experiments
DOI:10.1063/1.4904355  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Ma, Yanbao;
19:4:67     Thermal conductivity in nanostructured materials and analysis of local angle between heat fluxes
DOI:10.1063/1.4896551  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Fu, B.;Tang, G. H.;Bi, C.;
19:4:68     Theory of the lattice thermal conductivity in bulk and films of GaN
DOI:10.1103/PhysRevB.81.195320  JN:PHYSICAL REVIEW B  PY:2010
  TC:16  AU: AlShaikhi, A.;Barman, Saswati;Srivastava, G. P.;
19:4:69     Improved Callaway model for lattice thermal conductivity
DOI:10.1103/PhysRevB.88.144302  JN:PHYSICAL REVIEW B  PY:2013
  TC:5  AU: Allen, Philip B.;
19:4:70     Green's function studies of phonon transport across Si/Ge superlattices
DOI:10.1103/PhysRevB.89.235307  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;
19:4:71     Role of phonon anharmonicity in time-domain thermoreflectance measurements
DOI:10.1063/1.4746275  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:4  AU: da Cruz, Carolina Abs;Li, Wu;Katcho, Nebil A.;
19:4:72     Lifetime of sub-THz coherent acoustic phonons in a GaAs-AlAs superlattice
DOI:10.1063/1.4789520  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:6  AU: Maznev, A. A.;Hofmann, Felix;Jandl, Adam;Esfarjani, Keivan;Bulsara, Mayank T.;Fitzgerald, Eugene A.;Chen, Gang;Nelson, Keith A.;
19:4:73     Scaling laws of cumulative thermal conductivity for short and long phonon mean free paths
DOI:10.1063/1.4896844  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Aketo, Daisuke;Shiga, Takuma;Shiomi, Junichiro;
19:4:74     Low thermal conductivity and triaxial phononic anisotropy of SnSe
DOI:10.1063/1.4895770  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Carrete, Jesus;Mingo, Natalio;Curtarolo, Stefano;
19:4:75     Role of phonon dispersion in studying phonon mean free paths in skutterudites
DOI:10.1063/1.4747911  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:6  AU: Zebarjadi, Mona;Yang, Jian;Lukas, Kevin;Kozinsky, Boris;Yu, Bo;Dresselhaus, Mildred S.;Opeil, Cyril;Ren, Zhifeng;Chen, Gang;
19:4:76     Phase-controlled, heterodyne laser-induced transient grating measurements of thermal transport properties in opaque material
DOI:10.1063/1.3675467  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:15  AU: Johnson, Jeremy A.;Maznev, Alexei A.;Bulsara, Mayank T.;Fitzgerald, Eugene A.;Harman, T. C.;Calawa, S.;Vineis, C. J.;Turner, G.;Nelson, Keith A.;
19:4:77     Thermal conductivity of compound semiconductors: Interplay of mass density and acoustic-optical phonon frequency gap
DOI:10.1063/1.4893185  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Jain, Ankit;McGaughey, Alan J. H.;
19:4:78     Disparate quasiballistic heat conduction regimes from periodic heat sources on a substrate
DOI:10.1063/1.4893299  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Zeng, Lingping;Chen, Gang;
19:4:79     Ab initio Lattice Thermal Conductivity of MgSiO3 Perovskite as Found in Earth's Lower Mantle
DOI:10.1103/PhysRevLett.110.025904  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:12  AU: Dekura, Haruhiko;Tsuchiya, Taku;Tsuchiya, Jun;
19:4:80     Acoustic impedance and interface phonon scattering in Bi2Te3 and other semiconducting materials
DOI:10.1103/PhysRevB.87.045317  JN:PHYSICAL REVIEW B  PY:2013
  TC:2  AU: Chen, Xin;Parker, David;Singh, David J.;
19:4:81     Lattice thermal conductivity of Bi, Sb, and Bi-Sb alloy from first principles
DOI:10.1103/PhysRevB.89.085206  JN:PHYSICAL REVIEW B  PY:2014
  TC:2  AU: Lee, Sangyeop;Esfarjani, Keivan;Mendoza, Jonathan;Dresselhaus, Mildred S.;Chen, Gang;
19:4:82     Terahertz coherent acoustic experiments with semiconductor superlattices
DOI:10.1063/1.3658458  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:8  AU: Huynh, A.;Perrin, B.;Jusserand, B.;Lemaitre, A.;
19:4:83     Dimensionality and heat transport in Si-Ge superlattices
DOI:10.1063/1.4792748  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:9  AU: Savic, Ivana;Donadio, Davide;Gygi, Francois;Galli, Giulia;
19:4:84     Assessment of the Holland model for silicon phonon-phonon relaxation times using lattice dynamics calculations
DOI:10.1063/1.4803514  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Zhu, Zimu;Romero, David A.;Sellan, Daniel P.;Nabovati, Aydin;Amon, Cristina H.;
19:4:85     Lattice thermal conductivity of crystalline and amorphous silicon with and without isotopic effects from the ballistic to diffusive thermal transport regime
DOI:10.1063/1.4891500  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Park, Minkyu;Lee, In-Ho;Kim, Yong-Sung;
19:4:86     From kinetic to collective behavior in thermal transport on semiconductors and semiconductor nanostructures
DOI:10.1063/1.4871672  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: de Tomas, C.;Cantarero, A.;Lopeandia, A. F.;Alvarez, F. X.;
19:4:87     Thermal interfacial transport in the presence of ballistic heat modes
DOI:10.1103/PhysRevB.90.014306  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Vermeersch, Bjorn;Mohammed, Amr M. S.;Pernot, Gilles;Koh, Yee Rui;Shakouri, Ali;
19:4:88     Effect of nitrogen and vacancy defects on the thermal conductivity of diamond: An ab initio Green's function approach
DOI:10.1103/PhysRevB.90.094117  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Katcho, N. A.;Carrete, J.;Li, Wu;Mingo, N.;
19:4:89     Dynamical thermal conductivity of bulk semiconductor crystals
DOI:10.1063/1.4759366  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Ezzahri, Younes;Joulain, Karl;
19:4:90     Effect of embedding nanoparticles on the lattice thermal conductivity of bulk semiconductor crystals
DOI:10.1063/1.4789808  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Ezzahri, Younes;Joulain, Karl;
19:4:91     Lattice Thermal Conductivity of Si1-xGex Nanocomposites
DOI:10.1103/PhysRevLett.112.065901  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:6  AU: Melis, Claudio;Colombo, Luciano;
19:4:92     Anisotropy of the Thermal Conductivity in GaAs/AlAs Superlattices
DOI:10.1021/nl4001162  JN:NANO LETTERS  PY:2013
  TC:4  AU: Luckyanova, Maria N.;Johnson, Jeremy A.;Maznev, A. A.;Garg, Jivtesh;Jandl, Adam;Bulsara, Mayank T.;Fitzgerald, Eugene A.;Nelson, Keith A.;Chen, Gang;
19:4:93     Ballistic Phonon Transport in Holey Silicon
DOI:10.1021/acs.nanolett.5b00495  JN:NANO LETTERS  PY:2015
  TC:2  AU: Lee, Jaeho;Lim, Jongwoo;Yang, Peidong;
19:4:94     Temperature-dependent effective third-order interatomic force constants from first principles
DOI:10.1103/PhysRevB.88.144301  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Hellman, Olle;Abrikosov, I. A.;
19:4:95     Femtosecond spectroscopy of acoustic frequency combs in the 100-GHz frequency range in Al/Si membranes
DOI:10.1103/PhysRevB.88.205202  JN:PHYSICAL REVIEW B  PY:2013
  TC:0  AU: Grossmann, Martin;Klingele, Matthias;Scheel, Patricia;Ristow, Oliver;Hettich, Mike;He, Chuan;Waitz, Reimar;Schubert, Martin;Bruchhausen, Axel;Gusev, Vitalyi;Scheer, Elke;Dekorsy, Thomas;
19:4:96     Microscopic description of thermal-phonon coherence: From coherent transport to diffuse interface scattering in superlattices
DOI:10.1103/PhysRevB.90.014307  JN:PHYSICAL REVIEW B  PY:2014
  TC:1  AU: Latour, B.;Volz, S.;Chalopin, Y.;
19:4:97     Size-dependent thermal conductivity in nanosystems based on non-Fourier heat transfer
DOI:10.1063/1.4767337  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:7  AU: Ma, Yanbao;
19:4:98     Thermal conductivity modeling of periodic porous silicon with aligned cylindrical pores
DOI:10.1063/1.4730962  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:6  AU: Hsieh, Tse-Yang;Lin, Herng;Hsieh, Tsang-Jen;Huang, Juan-Chen;
19:4:99     Thermal conduction in nano-porous silicon thin film
DOI:10.1063/1.4829913  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Tang, G. H.;Bi, C.;Fu, B.;
19:4:100     Effects of point defects and dislocations on spectral phonon transport properties of wurtzite GaN
DOI:10.1063/1.4817083  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Ma, Jinlong;Wang, XinJiang;Huang, Baoling;Luo, Xiaobing;
19:4:101     Equilibrium molecular dynamics simulations for the thermal conductivity of Si/Ge nanocomposites
DOI:10.1063/1.4794815  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Li, Xiaobo;Yang, Ronggui;
19:4:102     Toward phonon-boundary engineering in nanoporous materials
DOI:10.1063/1.4891362  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Romano, Giuseppe;Grossman, Jeffrey C.;
19:4:103     Molecular dynamics simulation for heat transport in thin diamond nanowires
DOI:10.1103/PhysRevB.83.235432  JN:PHYSICAL REVIEW B  PY:2011
  TC:8  AU: Jiang, Jin-Wu;Wang, Bing-Shen;Wang, Jian-Sheng;
19:4:104     Dynamical thermoelectric coefficients of bulk semiconductor crystals: Towards high thermoelectric efficiency at high frequencies
DOI:10.1063/1.4881458  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Ezzahri, Younes;Joulain, Karl;
19:4:105     Crossover from incoherent to coherent phonon scattering in epitaxial oxide superlattices
DOI:10.1038/NMAT3826  JN:NATURE MATERIALS  PY:2014
  TC:27  AU: Ravichandran, Jayakanth;Yadav, Ajay K.;Cheaito, Ramez;Rossen, Pim B.;Soukiassian, Arsen;Suresha, S. J.;Duda, John C.;Foley, Brian M.;Lee, Che-Hui;Zhu, Ye;Lichtenberger, Arthur W.;Moore, Joel E.;Muller, David A.;Schlom, Darrell G.;Hopkins, Patrick E.;Majumdar, Arun;Ramesh, Ramamoorthy;Zurbuchen, Mark A.;
19:4:106     The Seebeck coefficient and phonon drag in silicon
DOI:10.1063/1.4904925  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Mahan, G. D.;Lindsay, L.;Broido, D. A.;
19:4:107     Anharmonic effects in the thermoelectric properties of PbTe
DOI:10.1063/1.4891201  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Al-Otaibi, Jawaher;Srivastava, G. P.;
19:4:108     Effective thermal boundary resistance from thermal decoupling of magnons and phonons in SrRuO3 thin films
DOI:10.1103/PhysRevB.82.054425  JN:PHYSICAL REVIEW B  PY:2010
  TC:3  AU: Langner, M. C.;Kantner, C. L. S.;Chu, Y. H.;Martin, L. M.;Yu, P.;Ramesh, R.;Orenstein, J.;
19:4:109     Method to extract anharmonic force constants from first principles calculations (vol 77, 144112, 2008)
DOI:10.1103/PhysRevB.86.019904  JN:PHYSICAL REVIEW B  PY:2012
  TC:1  AU: Esfarjani, Keivan;Stokes, Harold T.;
19:4:110     Ab initio study of the unusual thermal transport properties of boron arsenide and related materials
DOI:10.1103/PhysRevB.88.214303  JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758;  PY:100  TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
19:4:111     Anomalous vibrational properties of cubic boron arsenide
DOI:10.1103/PhysRevB.89.024308  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Hadjiev, V. G.;Iliev, M. N.;Lv, B.;Ren, Z. F.;Chu, C. W.;
19:4:112     Synthesis and Characterization of a p-Type Boron Arsenide Photoelectrode
DOI:10.1021/ja301765v  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:9  AU: Wang, Shijun;Swingle, Sarah F.;Ye, Heechang;Fan, Fu-Ren F.;Cowley, Alan H.;Bard, Allen J.;
19:4:113     Non-equilibrium transient thermal grating relaxation in metal
DOI:10.1063/1.3569731  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:2  AU: Maznev, A. A.;Johnson, Jeremy A.;Nelson, Keith A.;
19:4:114     Onset of size effect in lattice thermal conductivity of thin films (vol 113, 113511, 2013)
DOI:10.1063/1.4801840  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Maznev, A. A.;
19:4:115     Molecular dynamic simulation of diamond/silicon interfacial thermal conductance
DOI:10.1063/1.4775399  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Khosravian, N.;Samani, M. K.;Loh, G. C.;Chen, G. C. K.;Baillargeat, D.;Tay, B. K.;
19:5:1     Enhancement of Thermoelectric Figure-of-Merit by a Bulk Nanostructuring Approach
DOI:10.1002/adfm.200901512  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2010
  TC:262  AU: Lan, Yucheng;Minnich, Austin Jerome;Chen, Gang;Ren, Zhifeng;
19:5:2     Identifying the Specific Nanostructures Responsible for the High Thermoelectric Performance of (Bi,Sb)(2)Te-3 Nanocomposites
DOI:10.1021/nl100804a  JN:NANO LETTERS  PY:2010
  TC:149  AU: Xie, Wenjie;He, Jian;Kang, Hye Jung;Tang, Xinfeng;Zhu, Song;Laver, Mark;Wang, Shanyu;Copley, John R. D.;Brown, Craig M.;Zhang, Qingjie;Tritt, Terry M.;
19:5:3     Enhancement of the thermoelectric properties in nanoscale and nanostructured materials
DOI:10.1039/c0jm02755c  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:87  AU: Szczech, Jeannine R.;Higgins, Jeremy M.;Jin, Song;
19:5:4     n-Type Nanostructured Thermoelectric Materials Prepared from Chemically Synthesized Ultrathin Bi2Te3 Nanoplates
DOI:10.1021/nl203389x  JN:NANO LETTERS  PY:2012
  TC:67  AU: Son, Jae Sung;Choi, Moon Kee;Han, Mi-Kyung;Park, Kunsu;Kim, Jae-Yeol;Lim, Seong Joon;Oh, Myunghwan;Kuk, Young;Park, Chan;Kim, Sung-Jin;Hyeon, Taeghwan;
19:5:5     Composition Control and Thermoelectric Properties of Quaternary Chalcogenide Nanocrystals: The Case of Stannite Cu2CdSnSe4
DOI:10.1021/cm2031812  JN:CHEMISTRY OF MATERIALS  PY:2012
  TC:75  AU: Ibanez, Maria;Cadavid, Doris;Zamani, Reza;Garcia-Castello, Nuria;Izquierdo-Roca, Victor;Li, Wenhua;Fairbrother, Andrew;Daniel Prades, Joan;Shavel, Alexey;Arbiol, Jordi;Perez-Rodriguez, Alejandro;Ramon Morante, Joan;Cabot, Andreu;
19:5:6     Enhanced Thermoelectric Properties of Solution Grown Bi2Te3-xSex Nanoplatelet Composites
DOI:10.1021/nl2034859  JN:NANO LETTERS  PY:2012
  TC:80  AU: Soni, Ajay;Zhao Yanyuan;Yu Ligen;Aik, Michael Khor Khiam;Dresselhaus, Mildred S.;Xiong, Qihua;
19:5:7     Colloidal synthesis and thermoelectric properties of Cu2SnSe3 nanocrystals
DOI:10.1039/c2ta00419d  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:38  AU: Ibanez, Maria;Cadavid, Doris;Anselmi-Tamburini, Umberto;Zamani, Reza;Gorsse, Stephane;Li, Wenhua;Lopez, Antonio M.;Ramon Morante, Joan;Arbiol, Jordi;Cabot, Andreu;
19:5:8     ZT Enhancement in Solution-Grown Sb(2-x)BixTe3 Nanoplatelets
DOI:10.1021/nn1008963  JN:ACS NANO  PY:2010
  TC:57  AU: Scheele, Marcus;Oeschler, Niels;Veremchuk, Igor;Reinsberg, Klaus-Georg;Kreuziger, Anna-Marlena;Kornowski, Andreas;Broekaert, Jose;Klinke, Christian;Weller, Horst;
19:5:9     Semiconductor Nanocrystals Functionalized with Antimony Telluride Zintl Ions for Nanostructured Thermoelectrics
DOI:10.1021/ja909591x  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2010
  TC:75  AU: Kovalenko, Maksym V.;Spokoyny, Boris;Lee, Jong-Soo;Scheele, Marcus;Weber, Andrew;Perera, Susanthri;Landry, Daniel;Talapin, Dmitri V.;
19:5:10     Surfactant-Free Synthesis of Bi2Te3-Te Micro-Nano Heterostructure with Enhanced Thermoelectric Figure of Merit
DOI:10.1021/nn2002294  JN:ACS NANO  PY:2011
  TC:45  AU: Zhang, Yichi;Wang, Heng;Kraeemer, Stephan;Shi, Yifeng;Zhang, Fan;Snedaker, Matt;Ding, Kunlun;Moskovits, Martin;Snyder, G. Jeffrey;Stuck, Galen D.;
19:5:11     Crystallographic Control at the Nanoscale To Enhance Functionality: Polytypic Cu2GeSe3 Nanoparticles as Thermoelectric Materials
DOI:10.1021/cm303252q  JN:CHEMISTRY OF MATERIALS  PY:2012
  TC:37  AU: Ibanez, Maria;Zamani, Reza;Li, Wenhua;Cadavid, Doris;Gorsse, Stephane;Katcho, Nebil A.;Shavel, Alexey;Lopez, Antonio M.;Ramon Morante, Joan;Arbiol, Jordi;Cabot, Andreu;
19:5:12     Colloidal Synthesis of Cu2CdSnSe4 Nanocrystals and Hot-Pressing to Enhance the Thermoelectric Figure-of-Merit
DOI:10.1021/ja207159j  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2011
  TC:47  AU: Fan, Feng-Jia;Yu, Bo;Wang, Yi-Xiu;Zhu, Yan-Long;Liu, Xiao-Jing;Yu, Shu-Hong;Ren, Zhifeng;
19:5:13     Core-Shell Nanoparticles As Building Blocks for the Bottom-Up Production of Functional Nanocomposites: PbTe-PbS Thermoelectric Properties
DOI:10.1021/nn305971v  JN:ACS NANO  PY:2013
  TC:31  AU: Ibanez, Maria;Zamani, Reza;Gorsse, Stephane;Fan, Jiandong;Ortega, Silvia;Cadavid, Doris;Ramon Morante, Joan;Arbiol, Jordi;Cabot, Andreu;
19:5:14     Organic ligand displacement by metal salts to enhance nanoparticle functionality: thermoelectric properties of Ag2Te
DOI:10.1039/c3ta01455j  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:16  AU: Cadavid, Doris;Ibanez, Maria;Shavel, Alexey;Juan Dura, Oscar;Lopez de la Torre, M. A.;Cabot, Andreu;
19:5:15     Recent developments in nanostructured materials for high-performance thermoelectrics
DOI:10.1039/c0jm01193b  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2010
  TC:53  AU: Vaqueiro, Paz;Powell, Anthony V.;
19:5:16     Energy harvesting: an integrated view of materials, devices and applications
DOI:10.1088/0957-4484/23/50/502001  JN:NANOTECHNOLOGY  PY:2012
  TC:22  AU: Radousky, H. B.;Liang, H.;
19:5:17     Large-Scale Colloidal Synthesis of Non-Stoichiometric Cu2ZnSnSe4 Nanocrystals for Thermoelectric Applications
DOI:10.1002/adma.201202860  JN:ADVANCED MATERIALS  PY:2012
  TC:47  AU: Fan, Feng-Jia;Wang, Yi-Xiu;Liu, Xiao-Jing;Wu, Liang;Yu, Shu-Hong;
19:5:18     Toward high-performance nanostructured thermoelectric materials: the progress of bottom-up solution chemistry approaches
DOI:10.1039/c1jm11727k  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:26  AU: Zhao, Yixin;Dyck, Jeffrey S.;Burda, Clemens;
19:5:19     Bottom-up processing of thermoelectric nanocomposites from colloidal nanocrystal building blocks: the case of Ag2Te-PbTe
DOI:10.1007/s11051-012-1328-0  JN:JOURNAL OF NANOPARTICLE RESEARCH  PY:2012
  TC:7  AU: Cadavid, Doris;Ibanez, Maria;Gorsse, Stephane;Lopez, Antonio M.;Cirera, Albert;Ramon Morante, Joan;Cabot, Andreu;
19:5:20     Surfactant-Free Scalable Synthesis of Bi2Te3 and Bi2Se3 Nanoflakes and Enhanced Thermoelectric Properties of Their Nanocomposites
DOI:10.1002/adma.201203764  JN:ADVANCED MATERIALS  PY:2013
  TC:43  AU: Min, Yuho;Roh, Jong Wook;Yang, Heeseung;Park, Minwoo;Kim, Sang Il;Hwang, Sungwoo;Lee, Sang Mock;Lee, Kyu Hyoung;Jeong, Unyong;
19:5:21     Enhancing Thermoelectric Performance of Ternary Nanocrystals through Adjusting Carrier Concentration
DOI:10.1021/ja100020m  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2010
  TC:42  AU: Zhao, Yixin;Dyck, Jeffrey S.;Hernandez, Brett M.;Burda, Clemens;
19:5:22     Rational Synthesis of Ultrathin n-Type Bi2Te3 Nanowires with Enhanced Thermoelectric Properties
DOI:10.1021/nl202935k  JN:NANO LETTERS  PY:2012
  TC:45  AU: Zhang, Genqiang;Kirk, Benjamin;Jauregui, Luis A.;Yang, Haoran;Xu, Xianfan;Chen, Yong P.;Wu, Yue;
19:5:23     Single-crystalline Bi2Te3 nanosheets with uniform morphology via a simple, efficient, and high-yield microwave-assisted synthesis
DOI:10.1016/j.jcrysgro.2014.08.019  JN:JOURNAL OF CRYSTAL GROWTH  PY:2014
  TC:1  AU: Li, Zhiliang;Teng, Renyuan;Zheng, Shuqi;Zhang, Yuzhuo;Huang, Ting;Lu, Guiwu;
19:5:24     Synthesis, processing, and thermoelectric properties of bulk nanostructured bismuth telluride (Bi2Te3)
DOI:10.1039/c1jm13880d  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:31  AU: Saleemi, Mohsin;Toprak, Muhammet S.;Li, Shanghua;Johnsson, Mats;Muhammed, Mamoun;
19:5:25     Colloidal synthesis and thermoelectric properties of La-doped SrTiO3 nanoparticles
DOI:10.1039/c3ta14699e  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:9  AU: Park, Kunsu;Son, Jae Sung;Woo, Sung Ill;Shin, Kwangsoo;Oh, Min-Wook;Park, Su-Dong;Hyeon, Taeghwan;
19:5:26     Thermoelectric Properties of Lead Chalcogenide Core-Shell Nanostructures
DOI:10.1021/nn2017183  JN:ACS NANO  PY:2011
  TC:34  AU: Scheele, Marcus;Oeschler, Niels;Veremchuk, Igor;Peters, Sven-Ole;Littig, Alexander;Kornowski, Andreas;Klinke, Christian;Weller, Horst;
19:5:27     High thermoelectric figure-of-merit in p-type nanostructured (Bi,Sb)(2)Te-3 fabricated via hydrothermal synthesis and evacuated-and-encapsulated sintering
DOI:10.1039/c2jm15185e  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:32  AU: Liu, Chia-Jyi;Lai, Hsin -Chang;Liu, Yen-Liang;Chen, Liang-Ru;
19:5:28     Bi2S3 nanonetwork as precursor for improved thermoelectric performance
DOI:10.1016/j.nanoen.2013.12.015  JN:NANO ENERGY  PY:2014
  TC:7  AU: Liu, Weishu;Guo, Chuan Fei;Yao, Mengliang;Lan, Yucheng;Zhang, Hao;Zhang, Qian;Chen, Shuo;Opeil, Cyril P.;Ren, Zhifeng;
19:5:29     A Mesoporous Anisotropic n-Type Bi2Te3 Monolith with Low Thermal Conductivity as an Efficient Thermoelectric Material
DOI:10.1002/adma.201201974  JN:ADVANCED MATERIALS  PY:2012
  TC:14  AU: Zhang, Yichi;Day, Tristan;Snedaker, Matthew L.;Wang, Heng;Kraemer, Stephan;Birkel, Christina S.;Ji, Xiulei;Liu, Deyu;Snyder, G. Jeffrey;Stucky, Galen D.;
19:5:30     Wet-Chemical Synthesis and Consolidation of Stoichiometric Bismuth Telluride Nanoparticles for Improving the Thermoelectric Figure-of-Merit
DOI:10.1021/am401444w  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2013
  TC:4  AU: Stavila, V.;Robinson, D. B.;Hekmaty, M. A.;Nishimoto, R.;Medlin, D. L.;Zhu, S.;Tritt, T. M.;Sharma, P. A.;
19:5:31     Universal and Solution-Processable Precursor to Bismuth Chalcogenide Thermoelectrics
DOI:10.1021/cm903769q  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:30  AU: Wang, Robert Y.;Feser, Joseph P.;Gu, Xun;Yu, Kin Man;Segalman, Rachel A.;Majumdar, Arun;Milliron, Delia J.;Urban, Jeffrey J.;
19:5:32     Seebeck Tuning in Chalcogenide Nanoplate Assemblies by Nanoscale Heterostructuring
DOI:10.1021/nn101322p  JN:ACS NANO  PY:2010
  TC:36  AU: Mehta, Rutvik J.;Karthik, Chinnathambi;Singh, Binay;Teki, Ranganath;Borca-Tasciuc, Theo;Ramanath, Ganpati;
19:5:33     Preparation and thermoelectric properties of inhomogeneous bismuth telluride alloyed nanorods
DOI:10.1016/j.jallcom.2013.03.167  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:6  AU: Yu, Chao;Zhang, Xiaoguang;Leng, Mei;Shaga, Alateng;Liu, Dan;Chen, Fanglin;Wang, Cheng;
19:5:34     Rational design, high-yield synthesis, and low thermal conductivity of Te/Bi2Te3 core/shell heterostructure nanotube composites
DOI:10.1016/j.jallcom.2014.08.010  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Li, Zhiliang;Zheng, Shuqi;Huang, Ting;Zhang, Yuzhuo;Teng, Renyuan;Lu, Guiwu;
19:5:35     Silver-Based Intermetallic Heterostructures in Sb2Te3 Thick Films with Enhanced Thermoelectric Power Factors
DOI:10.1021/nl204346g  JN:NANO LETTERS  PY:2012
  TC:32  AU: Zhang, Yichi;Snedaker, Matthew L.;Birkel, Christina S.;Mubeen, Syed;Ji, Xiulei;Shi, Yifeng;Liu, Deyu;Liu, Xiaonao;Moskovits, Martin;Stucky, Galen D.;
19:5:36     Microwave-assisted rapid synthesis of Sb2Te3 nanosheets and thermoelectric properties of bulk samples prepared by spark plasma sintering
DOI:10.1039/b915107a  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2010
  TC:45  AU: Dong, Guo-Hui;Zhu, Ying-Jie;Chen, Li-Dong;
19:5:37     Structure and Thermoelectric Properties of Spark Plasma Sintered Ultrathin PbTe Nanowires
DOI:10.1021/nl500997w  JN:NANO LETTERS  PY:2014
  TC:5  AU: Finefrock, Scott W.;Zhang, Genqiang;Bahk, Je-Hyeong;Fang, Haiyu;Yang, Haoran;Shakouri, Ali;Wu, Yue;
19:5:38     Biomolecule-Assisted Hydrothermal Synthesis and Self-Assembly of Bi2Te3 Nanostring-Cluster Hierarchical Structure
DOI:10.1021/nn100267q  JN:ACS NANO  PY:2010
  TC:46  AU: Mi, Jian-Li;Lock, Nina;Sun, Ting;Christensen, Mogens;Sondergaard, Martin;Hald, Peter;Hng, Huey H.;Ma, Jan;Iversen, Bo B.;
19:5:39     Low-Temperature, Solution-Based, Scalable Synthesis of Sb2Te3 Nanoparticles with an Enhanced Power Factor
DOI:10.1007/s11664-014-2995-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Yang, Heng Quan;Miao, Lei;Zhang, Ming;Ohno, Kaoru;Zhou, Jian Hua;Gu, Hui;Shen, Yang;Lin, Hong;
19:5:40     Hot Carrier Filtering in Solution Processed Heterostructures: A Paradigm for Improving Thermoelectric Efficiency
DOI:10.1002/adma.201304419  JN:ADVANCED MATERIALS  PY:2014
  TC:4  AU: Zhang, Yichi;Bahk, Je-Hyeong;Lee, Joun;Birkel, Christina S.;Snedaker, Matthew L.;Liu, Deyu;Zeng, Hongmei;Moskovits, Martin;Shakouri, Ali;Stucky, Galen D.;
19:5:41     Template-free solvothermal synthesis and enhanced thermoelectric performance of Sb2Te3 nanosheets
DOI:10.1016/j.jallcom.2013.01.017  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:9  AU: Sun, Shaolin;Peng, Jing;Jin, Renxi;Song, Shuyan;Zhu, Pinwen;Xing, Yan;
19:5:42     Sb2Te3 nanobelts and nanosheets: Hydrothermal synthesis, morphology evolution and thermoelectric properties
DOI:10.1016/j.jallcom.2012.09.061  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:13  AU: Dong, Guo-Hui;Zhu, Ying-Jie;Cheng, Guo-Feng;Ruan, Yin-Jie;
19:5:43     Experimental evidence of enhancement of thermoelectric properties in tellurium nanoparticle-embedded bismuth antimony telluride
DOI:10.1557/jmr.2012.273  JN:JOURNAL OF MATERIALS RESEARCH  PY:2012
  TC:4  AU: Kim, Sang Il;Hwang, Sungwoo;Roh, Jong Wook;Ahn, Kyunghan;Yeon, Dong-Hee;Lee, Kyu Hyoung;Kim, Sung Wng;
19:5:44     A review on the enhancement of figure of merit from bulk to nano-thermoelectric materials
DOI:10.1016/j.nanoen.2012.10.005  JN:NANO ENERGY  PY:2013
  TC:49  AU: Alam, Hilaal;Ramakrishna, Seeram;
19:5:45     Enhancing the Thermoelectric Properties of p-Type Bulk Bi-Sb-Te Nanocomposites via Solution-Based Metal Nanoparticle Decoration
DOI:10.1007/s11664-012-2280-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Hwang, Sungwoo;Kim, Sang-Il;Ahn, Kyunghan;Roh, Jong Wook;Yang, Dae-Jin;Lee, Sang-Mock;Lee, Kyu-Hyoung;
19:5:46     Effect of Sintering on the Thermoelectric Transport Properties of Bulk Nanostructured Bi0.5Sb1.5Te3 Pellets Prepared by Chemical Synthesis
DOI:10.1007/s11664-012-1998-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Dyck, Jeffrey S.;Mao, Baodong;Wang, Junwei;Dorroh, Steven;Burda, Clemens;
19:5:47     Fabrication and characterization of electrodeposited antimony telluride crystalline nanowires and nanotubes
DOI:10.1039/c0jm01969k  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:25  AU: Pinisetty, D.;Gupta, M.;Karki, A. B.;Young, D. P.;Devireddy, R. V.;
19:5:48     In situ synthesis and thermoelectric properties of PbTe-graphene nanocomposites by utilizing a facile and novel wet chemical method
DOI:10.1039/c3ta12494k  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:18  AU: Dong, Jingdu;Liu, Wei;Li, Han;Su, Xianli;Tang, Xinfeng;Uher, Ctirad;
19:5:49     Synthesis of highly crystalline Bi2Te3 nanotubes and their enhanced thermoelectric properties
DOI:10.1039/c4ta02532f  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:5  AU: Zhu, Hang-Tian;Luo, Jun;Liang, Jing-Kui;
19:5:50     Aqueous solution synthesis of (Sb, Bi)(2)(Te, Se)(3) nanocrystals with controllable composition and morphology
DOI:10.1039/c3tc31241k  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2013
  TC:5  AU: Lu, Ziyang;Tan, Li Ping;Zhao, Xiaoxu;Layani, Michael;Sun, Ting;Fan, Shufen;Yan, Qingyu;Magdassi, Shlomo;Hng, Huey Hoon;
19:5:51     Preferential growth of Bi2Te3 films with a nanolayer structure: enhancement of thermoelectric properties induced by nanocrystal boundaries
DOI:10.1007/s11051-012-0775-y  JN:JOURNAL OF NANOPARTICLE RESEARCH  PY:2012
  TC:4  AU: Deng, Yuan;Zhang, Zhiwei;Wang, Yao;Xu, Yibin;
19:5:52     Spark erosion: a high production rate method for producing Bi0.5Sb1.5Te3 nanoparticles with enhanced thermoelectric performance
DOI:10.1088/0957-4484/23/41/415604  JN:NANOTECHNOLOGY  PY:2012
  TC:6  AU: Nguyen, P. K.;Lee, K. H.;Moon, J.;Kim, S. I.;Ahn, K. A.;Chen, L. H.;Lee, S. M.;Chen, R. K.;Jin, S.;Berkowitz, A. E.;
19:5:53     Seebeck and Figure of Merit Enhancement in Nanostructured Antimony Telluride by Antisite Defect Suppression through Sulfur Doping
DOI:10.1021/nl301639t  JN:NANO LETTERS  PY:2012
  TC:11  AU: Mehta, Rutvik J.;Zhang, Yanliang;Zhu, Hong;Parker, David S.;Belley, Matthew;Singh, David J.;Ramprasad, Ramamurthy;Borca-Tasciuc, Theodorian;Ramanath, Ganpati;
19:5:54     Synthesis and thermoelectric behaviour of copper telluride nanosheets
DOI:10.1039/c3ta12877f  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:9  AU: Nethravathi, C.;Rajamathi, Catherine R.;Rajamathi, Michael;Maki, Ryosuke;Mori, Takao;Golberg, Dmitri;Bando, Yoshio;
19:5:55     Structural and thermoelectric characterizations of high pressure sintered nanocrystalline Bi2Te3 bulks
DOI:10.1016/j.materresbull.2012.02.045  JN:MATERIALS RESEARCH BULLETIN  PY:2012
  TC:9  AU: Yu, Fengrong;Xu, Bo;Zhang, Jianjun;Yu, Dongli;He, Julong;Liu, Zhongyuan;Tian, Yongjun;
19:5:56     Sb2Te3 nanoplates: Preparation, reaction mechanism and electrochemical property
DOI:10.1016/j.jallcom.2013.03.005  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:1  AU: Yang, Jun-Song;Zuo, Peng-Fei;Zhang, Sheng-Yi;Jin, Bao-Kang;Tian, Yu-Peng;Yang, Jia-Xiang;
19:5:57     Fabrication of Micro/Nano-Structured Bi2Te3 Bulk Materials with Low Thermal Conductivity by Spark Plasma Sintering
DOI:10.1111/j.1551-2916.2012.05235.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2012
  TC:2  AU: Chen, Xiaozong;Li, Fei;Dong, Yuan;Liang, Beibei;Wang, Lianjun;Chen, Lidong;Jiang, Wan;
19:5:58     Structural, electrical, and thermoelectric properties of bismuth telluride: Silicon/carbon nanocomposites thin films
DOI:10.1063/1.4894145  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Agarwal, Khushboo;Mehta, B. R.;
19:5:59     Enhancement of Thermoelectric Figure of Merit for Bi0.5Sb1.5Te3 by Metal Nanoparticle Decoration
DOI:10.1007/s11664-012-1913-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:12  AU: Lee, Kyu-Hyoung;Kim, Hyun-Sik;Kim, Sang-Il;Lee, Eun-Sung;Lee, Sang-Mock;Rhyee, Jong-Soo;Jung, Jae-Yong;Kim, Il-Ho;Wang, Yifeng;Koumoto, Kunihito;
19:5:60     Enhancement in Figure of Merit (ZT) by Annealing of BiTe Nanostructures Synthesized by Microwave-Assisted Flash Combustion
DOI:10.1007/s11664-013-2864-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Kaur, Harjeet;Sharma, Lalit;Singh, Simrjit;Sivaiah, Bathula;Reddy, G. B.;Senguttuvan, T. D.;
19:5:61     Evaluation of the Structure and Transport Properties of Nanostructured Antimony Telluride (Sb2Te3)
DOI:10.1007/s11664-013-2911-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Saleemi, M.;Ruditskiy, A.;Toprak, M. S.;Stingaciu, M.;Johnsson, M.;Kretzschmar, I.;Jacquot, A.;Jaegle, M.;Muhammed, M.;
19:5:62     Modified polyol synthesis of bulk-scale nanostructured bismuth antimony telluride
DOI:10.1039/c0jm01424a  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2010
  TC:8  AU: Anderson, M. E.;Bharadwaja, S. S. N.;Schaak, R. E.;
19:5:63     Fabrication of antimony telluride nanoparticles using a brief chemical synthetic process under atmospheric conditions
DOI:10.1016/j.jallcom.2010.10.002  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:5  AU: Kim, Cham;Kim, Dong Hwan;Han, Yoon Soo;Chung, Jong Shik;Kim, Hoyoung;
19:5:64     Enhancement of the Thermoelectric Performance of Bi0.4Sb1.6Te3 Alloys by In and Ga Doping
DOI:10.1007/s11664-012-2356-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Lee, Kyu-Hyoung;Hwang, Sungwoo;Ryu, Byungki;Ahn, Kyunghan;Roh, Jongwook;Yang, Daejin;Lee, Sang-Mock;Kim, Hyunsik;Kim, Sang-Il;
19:5:65     Nanograined thermoelectric Bi2Te2.7Se0.3 with ultralow phonon transport prepared from chemically exfoliated nanoplatelets
DOI:10.1039/c3ta12623d  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:7  AU: Ko, Jieun;Kim, Jong-Young;Choi, Soon-Mok;Lim, Young Soo;Seo, Won-Seon;Lee, Kyu Hyoung;
19:5:66     Conversion of Hexagonal Sb2Te3 Nanoplates into Nanorings Driven by Growth Temperature
DOI:10.1021/la103937f  JN:LANGMUIR  PY:2011
  TC:14  AU: Wang, Wenzhong;Long, Dong;Liang, Yujie;Zhang, Guling;Zeng, Baoqing;He, Qingyu;
19:5:67     Thermoelectric properties of chalcogenide based Cu2+xZnSn1-xSe4
DOI:10.1063/1.4794733  JN:AIP ADVANCES  PY:2013
  TC:10  AU: Raju, Ch;Falmbigl, M.;Rogl, P.;Yan, X.;Bauer, E.;Horky, J.;Zehetbauer, M.;Mallik, Ramesh Chandra;
19:5:68     Inorganic Colloidal Solution-Based Approach to Nanocrystal Synthesis of (Bi,Sb)(2)Te-3
DOI:10.1007/s11664-011-1892-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Gupta, Rahul P.;Sharp, Jeff;Peng, Adam;Perera, Susanthri;Ballinger, Clint;Zheng, Tao;Gnade, Bruce;
19:5:69     Introducing kalium into copper sulfide for the enhancement of thermoelectric properties
DOI:10.1039/c3ta12706k  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:3  AU: Li, Xiaoyan;Hu, Chenguo;Kang, Xueliang;Len, Qiang;Xi, Yi;Zhang, Kaiyou;Liu, Hong;
19:5:70     Thermoelectric and transport properties of nanostructured Bi2Te3 by spark plasma sintering
DOI:10.1557/jmr.2010.67  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:14  AU: Zhang, Zhihui;Sharma, Peter A.;Lavernia, Enrique J.;Yang, Nancy;
19:5:71     Influence of porosity on the transport properties of Bi2Te3-based alloys by field-assisted sintering
DOI:10.1557/jmr.2013.99  JN:JOURNAL OF MATERIALS RESEARCH  PY:2013
  TC:3  AU: Zhang, Zhihui;Yee, Joshua K.;Sharma, Peter A.;Yang, Nancy;Lavernia, Enrique J.;
19:5:72     Formation of Dense Pore Structure by Te Addition in Bi0.5Sb1.5Te3: An Approach to Minimize Lattice Thermal Conductivity
DOI:10.1155/2013/905389  JN:JOURNAL OF NANOMATERIALS  PY:2013
  TC:0  AU: Hasan, Syed Waqar;Mun, Hyeona;Kim, Sang Il;Cho, Jung Young;Roh, Jong Wook;Yang, Sangsun;Choi, Soon-Mok;Lee, Kyu Hyoung;Kim, Sung Wng;
19:5:73     Resistance pressing sintering: A simple, economical and practical technique and its application to p-type (Bi,Sb)(2)Te-3 thermoelectric materials
DOI:10.1016/j.jallcom.2014.04.032  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Fan, Xi'an;Cai, Xinzhi;Rong, Zhenzhou;Yang, Fan;Li, Guangqiang;Gan, Zhanghua;
19:5:74     Fabrication, spark plasma consolidation, and thermoelectric evaluation of nanostructured CoSb3
DOI:10.1016/j.jallcom.2014.05.119  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Khan, A.;Saleemi, M.;Johnsson, M.;Han, L.;Nong, N. V.;Muhammed, M.;Toprak, M. S.;
19:5:75     Fabrication by Coaxial-Type Vacuum Arc Evaporation Method and Characterization of Bismuth Telluride Thin Films
DOI:10.1007/s11664-012-2438-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Uchino, M.;Kato, K.;Hagino, H.;Miyazaki, K.;
19:5:76     Wet-chemical preparation of digold bismuthide, gold diantimonide, and gold ditelluride particles
DOI:10.1557/jmr.2013.196  JN:JOURNAL OF MATERIALS RESEARCH  PY:2013
  TC:1  AU: Sakata, Teruyoshi;Mott, Derrick M.;Maenosono, Shinya;
19:5:77     Epitaxial formation of core-shell heterostructured Bi2Te3@Sb2Te3 hexagonal nanoplates
DOI:10.1007/s11051-013-2138-8  JN:JOURNAL OF NANOPARTICLE RESEARCH  PY:2013
  TC:1  AU: Liang, Li-Xing;Deng, Yuan;Wang, Yao;Gao, Hong-Li;
19:5:78     A new class of doped nanobulk high-figure-of-merit thermoelectrics by scalable bottom-up assembly
DOI:10.1038/NMAT3213  JN:NATURE MATERIALS  PY:2012
  TC:146  AU: Mehta, Rutvik J.;Zhang, Yanliang;Karthik, Chinnathambi;Singh, Binay;Siegel, Richard W.;Borca-Tasciuc, Theodorian;Ramanath, Ganpati;
19:5:79     Effects of Reaction Temperature on Thermoelectric Properties of p-Type Nanostructured Bi2-x Sb (x) Te-3 Prepared Using Hydrothermal Method and Evacuated-and-Encapsulated Sintering
DOI:10.1007/s11664-012-2317-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Liu, Chia-Jyi;Liu, Yen-Liang;Lai, Hsin-Chang;Chen, Liang-Ru;Zou, Yi-Yan;
19:5:80     Low Thermal Conductivity in High-Z Thermoelectric Materials with Controlled Nanodispersions
DOI:10.1007/s11664-013-2792-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Kita, Takuji;Murai, Junya;Banerjee, Debasish;Manabe, Akira;Zhang, Minjuan;Kawai, Yoichiro;
19:5:81     Controlled synthesis of tellurium nanowires and nanotubes via a facile, efficient, and relatively green solution phase method
DOI:10.1039/c3ta13035e  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:5  AU: Li, Zhiliang;Zheng, Shuqi;Zhang, Yuzhuo;Teng, Renyuan;Huang, Ting;Chen, Changfeng;Lu, Guiwu;
19:5:82     Enhanced thermoelectric performance of compacted Bi0.5Sb1.5Te3 nanoplatelets with low thermal conductivity
DOI:10.1557/jmr.2011.158  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:6  AU: Liu, Chia-Jyi;Liu, Gao-Jhih;Liu, Yen-Liang;Chen, Liang-Ru;Kaiser, Alan B.;
19:5:83     High thermoelectric figure of merit in silicon-germanium superlattice structured nanowires
DOI:10.1063/1.4769443  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:4  AU: Shi, Lihong;Jiang, Jinwu;Zhang, Gang;Li, Baowen;
19:5:84     The effect of Ag concentration on the structural, electrical and thermal transport behavior of Pb:Te:Ag:Se mixtures and improvement of thermoelectric performance via Cu doping
DOI:10.1016/j.jallcom.2010.10.187  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:4  AU: Capps, J.;Ma, B.;Drye, T.;Nucklos, C.;Lindsey, S.;Rhodes, D.;Zhang, Q.;Modic, K.;Cawthorne, S.;Drymiotis, F.;
19:5:85     Effect of Mechanical Deformation on Thermoelectric Properties of p-Type (Bi0.225Sb0.775)(2)Te-3 Alloys
DOI:10.1155/2013/868540  JN:JOURNAL OF NANOMATERIALS  PY:2013
  TC:1  AU: Jung, Sung-Jin;Kim, Seong Keun;Park, Hyung-Ho;Hyun, Dow-Bin;Baek, Seung-Hyub;Kim, Jin-Sang;
19:5:86     Facile synthesis of ultra-small Bi2Te3 nanoparticles, nanorods and nanoplates and their morphology-dependent Raman spectroscopy
DOI:10.1016/j.matlet.2012.04.135  JN:MATERIALS LETTERS  PY:2012
  TC:9  AU: Chen, Liangliang;Zhao, Qing;Ruan, Xiulin;
19:5:87     A novel cuprous ethylenetetrathiolate coordination polymer: Structure characterization, thermoelectric property optimization and a bulk thermogenerator demonstration
DOI:10.1016/j.synthmet.2014.03.024  JN:SYNTHETIC METALS  PY:2014
  TC:2  AU: Sheng, Peng;Sun, Yimeng;Jiao, Fei;Di, Chongan;Xu, Wei;Zhu, Daoben;
19:5:88     Optimization of the thermoelectric properties of poly[Cu-x(Cu-ethylenetetrathiolate)]
DOI:10.1016/j.synthmet.2013.12.004  JN:SYNTHETIC METALS  PY:2014
  TC:2  AU: Sheng, Peng;Sun, Yimeng;Jiao, Fei;Liu, Caiming;Xu, Wei;Zhu, Daoben;
19:5:89     Structural defects and microindentation analysis of zone melted Bi2Te3-xSex whiskers
DOI:10.1016/j.jcrysgro.2012.01.028  JN:JOURNAL OF CRYSTAL GROWTH  PY:2012
  TC:1  AU: Jariwala, Bhakti;Shah, Dimple V.;
19:5:90     Effect of Nano-ZrW2O8 on the Thermoelectric Properties of Bi85Sb15/ZrW2O8 Composites
DOI:10.1007/s11664-012-1914-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:0  AU: Zhou, Min;Chen, Zhen;Chu, Xinxin;Li, Laifeng;
19:5:91     Flexible piezoelectric harvesting based on epitaxial growth of ZnO
DOI:10.1007/s00339-010-5962-z  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2011
  TC:4  AU: Chang, Wen-Yang;Fang, Te-Hua;Weng, Cheng-I;Yang, Shin-Shing;
19:5:92     The microstructure network and thermoelectric properties of bulk (Bi,Sb)(2)Te-3
DOI:10.1063/1.4752110  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:3  AU: Xie, Wenjie;Hitchcock, Dale A.;Kang, Hye J.;He, Jian;Tang, Xinfeng;Laver, Mark;Hammouda, Boualem;
19:5:93     Synthesis and thermoelectric properties of bismuth-antimony-tellurium-based nanopowders
DOI:10.1016/j.apt.2010.08.006  JN:ADVANCED POWDER TECHNOLOGY  PY:2011
  TC:3  AU: Kim, Kyung Tae;Kim, Dong-Won;Lee, Gil-Geun;Ha, Gook Hyun;
19:5:94     Structural stability of diffusion barriers in thermoelectric SbTe: From first-principles calculations to experimental results
DOI:10.1016/j.jallcom.2013.11.138  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Hsu, Hsiao-Hsuan;Cheng, Chun-Hu;Chiou, Shan-Haw;Huang, Chiung-Hui;Liu, Chia-Mei;Lin, Yu-Li;Chao, Wen-Hsuan;Yang, Ping-Hsing;Chang, Chun-Yen;Cheng, Chin-Pao;
19:5:95     Thermoelectric Figure of Merit Enhancement in Bi2Te3-Coated Bi Composites
DOI:10.1007/s11664-012-2154-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Lan, T. W.;Chen, Y. C.;Ho, J. C.;Shyu, S. G.;Chen, Y. Y.;
19:5:96     Synthesis of Novel YbxSb2-xTe3 Hexagonal Nanoplates: Investigation of Their Physical, Structural, and Photocatalytic Properties
DOI:10.1155/2014/452659  JN:JOURNAL OF NANOMATERIALS  PY:2014
  TC:0  AU: Hanifehpour, Younes;Joo, Sang Woo;
19:6:1     Thermoelectric devices based on one-dimensional nanostructures
DOI:10.1039/c3ta01594g  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:13  AU: Qi, Yangyang;Wang, Zhen;Zhang, Mingliang;Yang, Fuhua;Wang, Xiaodong;
19:6:2     Quantifying Surface Roughness Effects on Phonon Transport in Silicon Nanowires
DOI:10.1021/nl3005868  JN:NANO LETTERS  PY:2012
  TC:78  AU: Lim, Jongwoo;Hippalgaonkar, Kedar;Andrews, Sean C.;Majumdar, Arun;Yang, Peidong;
19:6:3     Temperature Dependence of the Thermal Conductivity of Thin Silicon Nanowires
DOI:10.1021/nl903268y  JN:NANO LETTERS  PY:2010
  TC:69  AU: Donadio, Davide;Galli, Giulia;
19:6:4     Thermal Conductivity of Ge and Ge-Si Core-Shell Nanowires in the Phonon Confinement Regime
DOI:10.1021/nl203356h  JN:NANO LETTERS  PY:2011
  TC:49  AU: Wingert, Matthew C.;Chen, Zack C. Y.;Dechaumphai, Edward;Moon, Jaeyun;Kim, Ji-Hun;Xiang, Jie;Chen, Renkun;
19:6:5     Significant Reduction of Thermal Conductivity in Si/Ge Core-Shell Nanowires
DOI:10.1021/nl103718a  JN:NANO LETTERS  PY:2011
  TC:67  AU: Hu, Ming;Giapis, Konstantinos P.;Goicochea, Javier V.;Zhang, Xiaoliang;Poulikakos, Dimos;
19:6:6     Phonon heat conduction in corrugated silicon nanowires below the Casimir limit
DOI:10.1063/1.4816590  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:8  AU: Blanc, Christophe;Rajabpour, Ali;Volz, Sebastian;Fournier, Thierry;Bourgeois, Olivier;
19:6:7     Remarkable Reduction of Thermal Conductivity in Silicon Nanotubes
DOI:10.1021/nl101836z  JN:NANO LETTERS  PY:2010
  TC:58  AU: Chen, Jie;Zhang, Gang;Li, Baowen;
19:6:8     Reduced Thermal Conductivity in Nanoengineered Rough Ge and GaAs Nanowires
DOI:10.1021/nl902720v  JN:NANO LETTERS  PY:2010
  TC:52  AU: Martin, Pierre N.;Aksamija, Zlatan;Pop, Eric;Ravaioli, Umberto;
19:6:9     Surface Faceting Dependence of Thermal Transport in Silicon Nanowires
DOI:10.1021/nl2029688  JN:NANO LETTERS  PY:2011
  TC:31  AU: Sansoz, Frederic;
19:6:10     Fabrication of Microdevices with Integrated Nanowires for Investigating Low-Dimensional Phonon Transport
DOI:10.1021/nl101671r  JN:NANO LETTERS  PY:2010
  TC:58  AU: Hippalgaonkar, Kedar;Huang, Baoling;Chen, Renkun;Sawyer, Karma;Ercius, Peter;Majumdar, Arun;
19:6:11     Direct Measurements of Surface Scattering in Si Nanosheets Using a Microscale Phonon Spectrometer: Implications for Casimir-Limit Predicted by Ziman Theory
DOI:10.1021/nl402701a  JN:NANO LETTERS  PY:2014
  TC:9  AU: Hertzberg, Jared B.;Aksit, Mahmut;Otelaja, Obafemi O.;Stewart, Derek A.;Robinson, Richard D.;
19:6:12     Diameter dependence of SiGe nanowire thermal conductivity
DOI:10.1063/1.3486171  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:31  AU: Wang, Zhao;Mingo, Natalio;
19:6:13     Microscopic Origin of the Reduced Thermal Conductivity of Silicon Nanowires
DOI:10.1103/PhysRevLett.108.215901  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:29  AU: He, Yuping;Galli, Giulia;
19:6:14     Si/Ge Superlattice Nanowires with Ultralow Thermal Conductivity
DOI:10.1021/nl301971k  JN:NANO LETTERS  PY:2012
  TC:35  AU: Hu, Ming;Poulikakos, Dimos;
19:6:15     Thermal conductivity inhibition in phonon engineered core-shell cross-section modulated Si/Ge nanowires
DOI:10.1063/1.4807389  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:9  AU: Nika, Denis L.;Cocemasov, Alexandr I.;Crismari, Dmitrii V.;Balandin, Alexander A.;
19:6:16     Impacts of Atomistic Coating on Thermal Conductivity of Germanium Nanowires
DOI:10.1021/nl300208c  JN:NANO LETTERS  PY:2012
  TC:23  AU: Chen, Jie;Zhang, Gang;Li, Baowen;
19:6:17     Strain- and Defect-Mediated Thermal Conductivity in Silicon Nanowires
DOI:10.1021/nl500840d  JN:NANO LETTERS  PY:2014
  TC:5  AU: Murphy, Kathryn F.;Piccione, Brian;Zanjani, Mehdi B.;Lukes, Jennifer R.;Gianola, Daniel S.;
19:6:18     Diameter-Dependent Thermal Transport in Individual ZnO Nanowires and its Correlation with Surface Coating and Defects
DOI:10.1002/smll.201102046  JN:SMALL  PY:2012
  TC:26  AU: Bui, Cong Tinh;Xie, Rongguo;Zheng, Minrui;Zhang, Qingxin;Sow, Chorng Haur;Li, Baowen;Thong, John T. L.;
19:6:19     Thermal conductivity reduction in core-shell nanowires
DOI:10.1103/PhysRevB.84.085442  JN:PHYSICAL REVIEW B  PY:2011
  TC:23  AU: Hu, Ming;Zhang, Xiaoliang;Giapis, Konstantinos P.;Poulikakos, Dimos;
19:6:20     Thermal conductivity of silicon nanowire arrays with controlled roughness
DOI:10.1063/1.4767456  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:27  AU: Feser, Joseph P.;Sadhu, Jyothi S.;Azeredo, Bruno P.;Hsu, Keng H.;Ma, Jun;Kim, Junhwan;Seong, Myunghoon;Fang, Nicholas X.;Li, Xiuling;Ferreira, Placid M.;Sinha, Sanjiv;Cahill, David G.;
19:6:21     Full thermoelectric characterization of InAs nanowires using MEMS heater/sensors
DOI:10.1088/0957-4484/25/30/305702  JN:NANOTECHNOLOGY  PY:2014
  TC:2  AU: Karg, S. F.;Troncale, V.;Drechsler, U.;Mensch, P.;Das Kanungo, P.;Schmid, H.;Schmidt, V.;Gignac, L.;Riel, H.;Gotsmann, B.;
19:6:22     Surface roughness and thermal conductivity of semiconductor nanowires: Going below the Casimir limit
DOI:10.1103/PhysRevB.84.075403  JN:PHYSICAL REVIEW B  PY:2011
  TC:23  AU: Carrete, J.;Gallego, L. J.;Varela, L. M.;Mingo, N.;
19:6:23     Enhanced thermoelectric figure of merit in SiGe alloy nanowires by boundary and hole-phonon scattering
DOI:10.1063/1.3647575  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:18  AU: Martinez, Julio A.;Provencio, Paula P.;Picraux, S. T.;Sullivan, John P.;Swartzentruber, B. S.;
19:6:24     Core-shell nanowire serves as heat cable
DOI:10.1063/1.4859935  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:6  AU: Liu, Yue-Yang;Zhou, Wu-Xing;Tang, Li-Ming;Chen, Ke-Qiu;
19:6:25     Phonon mean free path spectrum and thermal conductivity for Si1-xGex nanowires
DOI:10.1063/1.4882083  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:3  AU: Xie, Guofeng;Guo, Yuan;Wei, Xiaolin;Zhang, Kaiwang;Sun, Lizhong;Zhong, Jianxin;Zhang, Gang;Zhang, Yong-Wei;
19:6:26     Thermal conductivity of silicon bulk and nanowires: Effects of isotopic composition, phonon confinement, and surface roughness
DOI:10.1063/1.3340973  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:43  AU: Kazan, M.;Guisbiers, G.;Pereira, S.;Correia, M. R.;Masri, P.;Bruyant, A.;Volz, S.;Royer, P.;
19:6:27     Marked Effects of Alloying on the Thermal Conductivity of Nanoporous Materials
DOI:10.1103/PhysRevLett.104.115502  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:28  AU: Bera, Chandan;Mingo, Natalio;Volz, Sebastian;
19:6:28     Room-temperature phonon boundary scattering below the Casimir limit
DOI:10.1103/PhysRevB.84.115450  JN:PHYSICAL REVIEW B  PY:2011
  TC:22  AU: Sadhu, Jyothi;Sinha, Sanjiv;
19:6:29     Single Nanowire Thermal Conductivity Measurements by Raman Thermography
DOI:10.1021/nn1012429  JN:ACS NANO  PY:2010
  TC:39  AU: Doerk, Gregory S.;Carraro, Carlo;Maboudian, Roya;
19:6:30     Study of the temperature distribution in Si nanowires under microscopic laser beam excitation
DOI:10.1007/s00339-012-7509-y  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2013
  TC:2  AU: Anaya, J.;Torres, A.;Martin-Martin, A.;Souto, J.;Jimenez, J.;Rodriguez, A.;Rodriguez, T.;
19:6:31     Thermal conductivity of VLS-grown rough Si nanowires with various surface roughnesses and diameters
DOI:10.1007/s00339-011-6474-1  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2011
  TC:21  AU: Park, Yong-Hee;Kim, Jungwon;Kim, Hyoungjoon;Kim, Ilsoo;Lee, Ki-Young;Seo, Dongjea;Choi, Heon-Jin;Kim, Woochul;
19:6:32     Thermal conductivities of Si1-xGex nanowires with different germanium concentrations and diameters
DOI:10.1063/1.3443707  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:21  AU: Kim, Hyoungjoon;Kim, Ilsoo;Choi, Heon-jin;Kim, Woochul;
19:6:33     Blocking phonons via nanoscale geometrical design
DOI:10.1103/PhysRevB.82.155458  JN:PHYSICAL REVIEW B  PY:2010
  TC:24  AU: Heron, Jean-Savin;Bera, Chandan;Fournier, Thierry;Mingo, Natalio;Bourgeois, Olivier;
19:6:34     Profiling Nanowire Thermal Resistance with a Spatial Resolution of Nanometers
DOI:10.1021/nl4041516  JN:NANO LETTERS  PY:2014
  TC:5  AU: Liu, Dan;Xie, Rongguo;Yang, Nuo;Li, Baowen;Thong, John T. L.;
19:6:35     Control of surface morphology and crystal structure of silicon nanowires and their coherent phonon transport characteristics
DOI:10.1016/j.actamat.2013.11.042  JN:ACTA MATERIALIA  PY:2014
  TC:2  AU: Lee, Seung-Yong;Kim, Gil-Sung;Lim, Jongwoo;Han, Seungwoo;Li, Baowen;Thong, John T. L.;Yoon, Young-Gui;Lee, Sang-Kwon;
19:6:36     Impact of internal crystalline boundaries on lattice thermal conductivity: Importance of boundary structure and spacing
DOI:10.1063/1.4901887  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Aghababaei, Ramin;Anciaux, Guillaume;Molinari, Jean-Francois;
19:6:37     Molecular dynamics simulations for thermal transport behavior of InAs nanotubes: A role of symmetry
DOI:10.1016/j.commatsci.2012.12.024  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2013
  TC:2  AU: Yi, Suin;Kim, In;Pascal, Tod A.;Jung, Yousung;
19:6:38     Effect of surface roughness on thermal conductivity of silicon nanowires
DOI:10.1063/1.3298457  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:31  AU: Liu, Ling;Chen, Xi;
19:6:39     Large Thermoelectric Figure-of-Merits from SiGe Nanowires by Simultaneously Measuring Electrical and Thermal Transport Properties
DOI:10.1021/nl300587u  JN:NANO LETTERS  PY:2012
  TC:37  AU: Lee, Eun Kyung;Yin, Liang;Lee, Yongjin;Lee, Jong Woon;Lee, Sang Jin;Lee, Junho;Cha, Seung Nam;Whang, Dongmok;Hwang, Gyeong S.;Hippalgaonkar, Kedar;Majumdar, Arun;Yu, Choongho;Choi, Byoung Lyong;Kim, Jong Min;Kim, Kinam;
19:6:40     Thermal conductivity of GaAs nanowires studied by micro-Raman spectroscopy combined with laser heating
DOI:10.1063/1.3532848  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:24  AU: Soini, Martin;Zardo, Ilaria;Uccelli, Emanuele;Funk, Stefan;Koblmueller, Gregor;Fontcuberta i Morral, Anna;Abstreiter, Gerhard;
19:6:41     Large thermoelectric figure of merit in Si1-xGex nanowires
DOI:10.1063/1.3421543  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:24  AU: Shi, Lihong;Yao, Donglai;Zhang, Gang;Li, Baowen;
19:6:42     Ultralow thermal conductivity in Si/GexSi1-x core-shell nanowires
DOI:10.1063/1.4792727  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Xie, Guofeng;Li, Baohua;Yang, Liwen;Cao, Juexian;Guo, Zhixin;Tang, Minghua;Zhong, Jianxin;
19:6:43     Thermal transport through short-period SiGe nanodot superlattices
DOI:10.1063/1.4863115  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:7  AU: Chen, Peixuan;Zhang, J. J.;Feser, J. P.;Pezzoli, F.;Moutanabbir, O.;Cecchi, S.;Isella, G.;Gemming, T.;Baunack, S.;Chen, G.;Schmidt, O. G.;Rastelli, A.;
19:6:44     Atomistic calculation of the thermal conductance of large scale bulk-nanowire junctions
DOI:10.1103/PhysRevB.84.115423  JN:PHYSICAL REVIEW B  PY:2011
  TC:5  AU: Duchemin, Ivan;Donadio, Davide;
19:6:45     Phonon thermal conductivity in silicon nanowires: The effects of surface roughness at low temperatures
DOI:10.1063/1.3684973  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:12  AU: Oh, Jung Hyun;Shin, Mincheol;Jang, Moon-Gyu;
19:6:46     Thermal conductivity of Si-Ge quantum dot superlattices
DOI:10.1088/0957-4484/22/15/155701  JN:NANOTECHNOLOGY  PY:2011
  TC:12  AU: Haskins, J. B.;Kinaci, A.;Cagin, T.;
19:6:47     Spectral Phonon Scattering from Sub-10 nm Surface Roughness Wavelengths in Metal-Assisted Chemically Etched Si Nanowires
DOI:10.1021/nl3047392  JN:NANO LETTERS  PY:2013
  TC:16  AU: Ghossoub, M. G.;Valavala, K. V.;Seong, M.;Azeredo, B.;Hsu, K.;Sadhu, J. S.;Singh, P. K.;Sinha, S.;
19:6:48     Effect of surface roughness on thermal conductivity of VLS-grown rough Si1-xGex nanowires
DOI:10.1007/s00339-011-6475-0  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2011
  TC:11  AU: Kim, Hyoungjoon;Park, Yong-Hee;Kim, Ilsoo;Kim, Jungwon;Choi, Heon-Jin;Kim, Woochul;
19:6:49     Atomistic simulations of heat transport in real-scale silicon nanowire devices
DOI:10.1063/1.4723632  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:3  AU: Duchemin, Ivan;Donadio, Davide;
19:6:50     Shape and orientation effects on the ballistic phonon thermal properties of ultra-scaled Si nanowires
DOI:10.1063/1.3662177  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:5  AU: Paul, Abhijeet;Luisier, Mathieu;Klimeck, Gerhard;
19:6:51     Optimization of the thermoelectric properties of nanostructured silicon
DOI:10.1063/1.4842835  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Pennelli, Giovanni;Macucci, Massimo;
19:6:52     Thermoelectric properties of individual single-crystalline PbTe nanowires grown by a vapor transport method
DOI:10.1088/0957-4484/22/29/295707  JN:NANOTECHNOLOGY  PY:2011
  TC:16  AU: Lee, Seung Hyun;Shim, Wooyoung;Jang, So Young;Roh, Jong Wook;Kim, Philip;Park, Jeunghee;Lee, Wooyoung;
19:6:53     Significant reduction of thermal conductivity in silicon nanowire arrays
DOI:10.1088/0957-4484/24/50/505718  JN:NANOTECHNOLOGY  PY:2013
  TC:5  AU: Zhang, Ting;Wu, Shao-long;Zheng, Rui-ting;Cheng, Guo-an;
19:6:54     Prediction of phonon thermal transport in thin GaAs, InAs and InP nanowires by molecular dynamics simulations: influence of the interatomic potential
DOI:10.1088/0957-4484/22/18/185704  JN:NANOTECHNOLOGY  PY:2011
  TC:6  AU: Carrete, J.;Longo, R. C.;Gallego, L. J.;
19:6:55     Electron Transport in SiGe Alloy Nanowires in the Ballistic Regime from First-Principles
DOI:10.1021/nl204313y  JN:NANO LETTERS  PY:2012
  TC:9  AU: Amato, Michele;Ossicini, Stefano;Rurali, Riccardo;
19:6:56     Coherent Phonon-Grain Boundary Scattering in Silicon Inverse Opals
DOI:10.1021/nl304190s  JN:NANO LETTERS  PY:2013
  TC:9  AU: Ma, Jun;Parajuli, Bibek R.;Ghossoub, Marc G.;Mihi, Agustin;Sadhu, Jyothi;Braun, Paul V.;Sinha, Sanjiv;
19:6:57     Tunable thermal conductivity in defect engineered nanowires at low temperatures
DOI:10.1103/PhysRevB.84.121307  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: Dhara, Sajal;Solanki, Hari S.;Pawan, Arvind R.;Singh, Vibhor;Sengupta, Shamashis;Chalke, B. A.;Dhar, Abhishek;Gokhale, Mahesh;Bhattacharya, Arnab;Deshmukh, Mandar M.;
19:6:58     Raman spectrum of Si nanowires: temperature and phonon confinement effects
DOI:10.1007/s00339-013-7966-y  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2014
  TC:4  AU: Anaya, J.;Torres, A.;Hortelano, V.;Jimenez, J.;Prieto, A. C.;Rodriguez, A.;Rodriguez, T.;Rogel, R.;Pichon, L.;
19:6:59     Micro-Raman spectroscopy of Si nanowires: Influence of diameter and temperature
DOI:10.1063/1.3284647  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:16  AU: Torres, A.;Martin-Martin, A.;Martinez, O.;Prieto, A. C.;Hortelano, V.;Jimenez, J.;Rodriguez, A.;Sangrador, J.;Rodriguez, T.;
19:6:60     Large reduction in thermal conductivity for Ge quantum dots embedded in SiO2 system
DOI:10.1063/1.4773204  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:2  AU: Hung, M. -T.;Wang, C. -C.;Hsu, J. -C.;Chiou, J. -Y.;Lee, S. -W.;Hsu, T. M.;Li, P. -W.;
19:6:61     Limit for thermal transport reduction in Si nanowires with nanoengineered corrugations
DOI:10.1063/1.4844995  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:1  AU: Sullivan, Sean E.;Lin, Keng-Hua;Avdoshenko, Stanislav;Strachan, Alejandro;
19:6:62     Anomalous heat conduction behavior in thin finite-size silicon nanowires
DOI:10.1088/0957-4484/21/15/155704  JN:NANOTECHNOLOGY  PY:2010
  TC:22  AU: Yang, Xueming;To, Albert C.;Tian, Rong;
19:6:63     Sub-amorphous Thermal Conductivity in Ultrathin Crystalline Silicon Nanotubes
DOI:10.1021/acs.nanolett.5b00167  JN:NANO LETTERS  PY:2015
  TC:0  AU: Wingert, Matthew C.;Kwon, Soonshin;Hu, Ming;Poulikakos, Dimos;Xiang, Jie;Chen, Renkun;
19:6:64     The influence of phonon scatterings on the thermal conductivity of SiGe nanowires
DOI:10.1063/1.4737909  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:9  AU: Yin, Liang;Lee, Eun Kyung;Lee, Jong Woon;Whang, Dongmok;Choi, Byoung Lyong;Yu, Choongho;
19:6:65     Vibrational and thermal properties of small diameter silicon nanowires
DOI:10.1063/1.3481406  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:10  AU: Li, J. C.;Wang, C. L.;Peng, H.;Wang, M. X.;Zhang, R. Z.;Wang, H. C.;Liu, J.;Zhao, M. L.;Mei, L. M.;
19:6:66     The size and diffusion effect of gold on silicon nanowire sidewall faceting
DOI:10.1063/1.3678596  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Seo, Deok-Won;Kim, Gil-Sung;Lee, Chan-Yang;Lee, Seung-Yong;Hyung, Jung-Hwan;Choi, Chel-Jong;Lee, Sang-Kwon;
19:6:67     The thermal transport properties of single-crystalline nanowires covered with amorphous shell: A molecular dynamics study
DOI:10.1016/j.jnoncrysol.2014.01.004  JN:JOURNAL OF NON-CRYSTALLINE SOLIDS  PY:2014
  TC:2  AU: Gao, Yufei;Bao, Wenbo;Meng, Qingyuan;Jing, Yuhang;Song, Xiaoxu;
19:6:68     Dependence of Surface Facet Period on the Diameter of Nanowires
DOI:10.1021/nn901428u  JN:ACS NANO  PY:2010
  TC:8  AU: Li, Fang;Nellist, Peter D.;Lang, Christian;Cockayne, David J. H.;
19:6:69     Ballistic thermoelectricity in double-bend nanowires
DOI:10.1063/1.3583670  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:6  AU: Zhou, Jun;Yang, Ronggui;
19:6:70     Heat transmission between a profiled nanowire and a thermal bath
DOI:10.1063/1.4890963  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Blanc, Christophe;Heron, Jean-Savin;Fournier, Thierry;Bourgeois, Olivier;
19:6:71     Assessment of phonon boundary scattering from light scattering standpoint
DOI:10.1063/1.4752871  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Lee, Hyun Jin;Jin, Jae Sik;Lee, Bong Jae;
19:6:72     Thermoelectric characteristic of the rough InN/GaN core-shell nanowires
DOI:10.1063/1.4894510  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Wu, Chao-Wei;Wu, Yuh-Renn;
19:6:73     Spatially resolved Raman spectroscopy on indium-catalyzed core-shell germanium nanowires: size effects
DOI:10.1088/0957-4484/21/10/105703  JN:NANOTECHNOLOGY  PY:2010
  TC:9  AU: Xiang, Y.;Zardo, I.;Cao, L. Y.;Garma, T.;Heiss, M.;Morante, J. R.;Arbiol, J.;Brongersma, M. L.;Morral, A. Fontcuberta I.;
19:6:74     Branching induced faceting of Si nanotrees
DOI:10.1063/1.3374328  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:8  AU: Doerk, Gregory S.;Radmilovic, Velimir;Maboudian, Roya;
19:6:75     Tuning lattice thermal conductance by porosity control in ultrascaled Si and Ge nanowires
DOI:10.1063/1.3556648  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:3  AU: Paul, Abhijeet;Klimeck, Gerhard;
19:6:76     Contribution of radial dopant concentration to the thermoelectric properties of core-shell nanowires
DOI:10.1063/1.4794821  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:1  AU: Martinez, Julio A.;Cho, Jeong-Hyun;Liu, Xiaohua;Luk, Ting S.;Huang, Jianyu;Picraux, S. T.;Sullivan, John P.;Swartzentruber, B. S.;
19:6:77     Thermal conductivity measurement of individual CdS nanowires using microphotoluminescence spectroscopy
DOI:10.1063/1.3476469  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:5  AU: Liu, X. F.;Wang, R.;Jiang, Y. P.;Zhang, Q.;Shan, X. Y.;Qiu, X. H.;
19:6:78     Monte Carlo simulation of thermal conductivity of Si nanowire: An investigation on the phonon confinement effect on the thermal transport
DOI:10.1063/1.4757633  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:5  AU: Bera, Chandan;
19:6:79     Core-shell Si1-xGex nanowires with controlled structural defects for phonon scattering enhancement
DOI:10.1039/c4ta01880j  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:2  AU: Lee, Jong Woon;Lee, Junho;Yi, Su-in;Seo, Young Min;Choi, Byoung Lyong;Yu, Choongho;Yang, Cheol-Woong;Hwang, Sungwoo;Kim, Sungjin;Whang, Dongmok;Lee, Eun Kyung;
19:6:80     Phonon transport in Si nanowires with elastically dissimilar barriers
DOI:10.1063/1.3694043  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:1  AU: Oh, Jung Hyun;Jang, Moon-Gyu;Shin, Mincheol;Lee, Seok-Hee;
19:6:81     Molecular dynamics simulation of the thermal conductivities of Si nanowires with various roughnesses
DOI:10.1016/j.commatsci.2011.01.047  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2011
  TC:7  AU: Chen, Yi-Ray;Jeng, Ming Shan;Chou, Ya Wen;Yang, Chang Chung;
19:6:82     Perturbation analysis of acoustic wave scattering at rough solid-solid interfaces
DOI:10.1063/1.3676250  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Sun, Huarui;Pipe, Kevin P.;
19:6:83     Size effect of out-of-plane thermal conductivity of epitaxial YBa2Cu3O7-delta thin films at room temperature measured by photothermal radiometry
DOI:10.1063/1.4803885  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Ikeda, Tatsuya;Ando, Tetsu;Taguchi, Yoshihiro;Nagasaka, Yuji;
19:6:84     Ultrafast transient photoinduced absorption in Ge core and Ge/GeO2 core/shell nanoparticles: effect of interface passivation
DOI:10.1007/s00339-010-6132-z  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2011
  TC:0  AU: Wang, Lihua;Jin, Zuanming;Ma, Hong;Ma, Guohong;Yuan, Cailei;
19:6:85     Profiling Nanowire Thermal Resistance with a Spatial Resolution of Nanometers (vol 14, pg 806, 2014)
DOI:10.1021/nl502262v  JN:NANO LETTERS  PY:2014
  TC:1  AU: Liu, Dan;Xie, Rongguo;Yang, Nuo;Li, Baowen;Thong, John T. L.;
19:7:1:1     Convergence of Conduction Bands as a Means of Enhancing Thermoelectric Performance of n-Type Mg2Si1-xSnx Solid Solutions
DOI:10.1103/PhysRevLett.108.166601  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:79  AU: Liu, Wei;Tan, Xiaojian;Yin, Kang;Liu, Huijun;Tang, Xinfeng;Shi, Jing;Zhang, Qingjie;Uher, Ctirad;
19:7:1:2     Flux synthesis and thermoelectric properties of eco-friendly Sb doped Mg2Si0.5Sn0.5 solid solutions for energy harvesting
DOI:10.1039/c1jm00025j  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:36  AU: Gao, Hongli;Zhu, Tiejun;Liu, Xinxin;Chen, Luxin;Zhao, Xinbing;
19:7:1:3     Optimized Thermoelectric Properties of Sb-Doped Mg2(1+z)Si0.5-ySn0.5Sby through Adjustment of the Mg Content
DOI:10.1021/cm202445d  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:39  AU: Liu, Wei;Tang, Xinfeng;Li, Han;Sharp, Jeff;Zhou, Xiaoyuan;Uher, Ctirad;
19:7:1:4     Enhanced thermoelectric properties of n-type Mg-2.16(Si0.4Sn0.6)(1-y)Sb-y due to nano-sized Sn-rich precipitates and an optimized electron concentration
DOI:10.1039/c2jm31919e  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:30  AU: Liu, Wei;Tang, Xinfeng;Li, Han;Yin, Kang;Sharp, Jeff;Zhou, Xiaoyuan;Uher, Ctirad;
19:7:1:5     Thermoelectric Properties of Sb-Doped Mg2Si0.3Sn0.7
DOI:10.1007/s11664-011-1541-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:32  AU: Liu, Wei;Zhang, Qiang;Tang, Xinfeng;Li, Han;Sharp, Jeff;
19:7:1:6     Multiscale calculations of thermoelectric properties of n-type Mg2Si1-xSnx solid solutions
DOI:10.1103/PhysRevB.85.205212  JN:PHYSICAL REVIEW B  PY:2012
  TC:13  AU: Tan, X. J.;Liu, W.;Liu, H. J.;Shi, J.;Tang, X. F.;Uher, C.;
19:7:1:7     Low Electron Scattering Potentials in High Performance Mg2Si0.45Sn0.55 Based Thermoelectric Solid Solutions with Band Convergence
DOI:10.1002/aenm.201300174  JN:ADVANCED ENERGY MATERIALS  PY:2013
  TC:24  AU: Liu, Xiaohua;Zhu, Tiejun;Wang, Heng;Hu, Lipeng;Xie, Hanhui;Jiang, Guangyu;Snyder, G. Jeffrey;Zhao, Xinbing;
19:7:1:8     High thermoelectric figure of merit of Mg2Si0.55Sn0.4Ge0.05 materials doped with Bi and Sb
DOI:10.1016/j.scriptamat.2013.07.008  JN:SCRIPTA MATERIALIA  PY:2013
  TC:23  AU: Khan, A. U.;Vlachos, N.;Kyratsi, Th.;
19:7:1:9     Transport and Mechanical Properties of High-ZT Mg2.08Si0.4-x Sn0.6Sb (x) Thermoelectric Materials
DOI:10.1007/s11664-013-2865-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Gao, Peng;Berkun, Isil;Schmidt, Robert D.;Luzenski, Matthew F.;Lu, Xu;Sarac, Patricia Bordon;Case, Eldon D.;Hogan, Timothy P.;
19:7:1:10     Gravity-induced gradients in thermoelectric Mg2Si0.9925-xSnxSb0.0075
DOI:10.1016/j.actamat.2012.06.050  JN:ACTA MATERIALIA  PY:2012
  TC:7  AU: Sondergaard, M.;Christensen, M.;Borup, K. A.;Yin, H.;Iversen, B. B.;
19:7:1:11     Microstructure and thermoelectrical investigations of an N-type magnesium-silicon-tin alloy
DOI:10.1016/j.jallcom.2014.02.040  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:5  AU: Vracar, Radivoje;Bernard-Granger, Guillaume;Navone, Christelle;Soulier, Mathieu;Boidot, Mathieu;Leforestier, Jean;Simon, Julia;
19:7:1:12     Physical, Mechanical, and Structural Properties of Highly Efficient Nanostructured n- and p-Silicides for Practical Thermoelectric Applications
DOI:10.1007/s11664-013-2848-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Gelbstein, Yaniv;Tunbridge, Jonathan;Dixon, Richard;Reece, Mike J.;Ning, Huanpo;Gilchrist, Robert;Summers, Richard;Agote, Inigo;Lagos, Miguel A.;Simpson, Kevin;Rouaud, Cedric;Feulner, Peter;Rivera, Sergio;Torrecillas, Ramon;Husband, Mark;Crossley, Julian;Robinson, Ivan;
19:7:1:13     Enhanced thermoelectric properties of Mg2Si0.58Sn0.42 compounds by Bi doping
DOI:10.1016/j.matlet.2011.08.031  JN:MATERIALS LETTERS  PY:2012
  TC:18  AU: Du, Zhengliang;Zhu, Tiejun;Zhao, Xinbing;
19:7:1:14     High Performance Mg2(Si,Sn) Solid Solutions: a Point Defect Chemistry Approach to Enhancing Thermoelectric Properties
DOI:10.1002/adfm.201400123  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2014
  TC:12  AU: Jiang, Guangyu;He, Jian;Zhu, Tiejun;Fu, Chenguang;Liu, Xiaohua;Hu, Lipeng;Zhao, Xinbing;
19:7:1:15     Thermoelectric Performance of Sb- and La-Doped Mg2Si0.5Ge0.5
DOI:10.1007/s11664-012-2018-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Zhou, Xiaoyuan;Wang, Guoyu;Chi, Hang;Su, Xianli;Salvador, James R.;Liu, Wei;Tang, Xinfeng;Uher, Ctirad;
19:7:1:16     Roles of interstitial Mg in improving thermoelectric properties of Sb-doped Mg2Si0.4Sn0.6 solid solutions
DOI:10.1039/c2jm16694a  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:17  AU: Du, Zhengliang;Zhu, Tiejun;Chen, Yi;He, Jian;Gao, Hongli;Jiang, Guangyu;Tritt, Terry M.;Zhao, Xinbing;
19:7:1:17     Thermoelectric properties of highly efficient Bi-doped Mg2Si1-x-ySnxGey materials
DOI:10.1016/j.actamat.2014.04.060  JN:ACTA MATERIALIA  PY:2014
  TC:5  AU: Khan, A. U.;Vlachos, N. V.;Hatzikraniotis, E.;Polymeris, G. S.;Lioutas, Ch. B.;Stefanaki, E. C.;Paraskevopoulos, K. M.;Giapintzakis, I.;Kyratsi, Th.;
19:7:1:18     Reduced lattice thermal conductivity in Bi-doped Mg2Si0.4Sn0.6
DOI:10.1063/1.4901178  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Gao, Peng;Lu, Xu;Berkun, Isil;Schmidt, Robert D.;Case, Eldon D.;Hogan, Timothy P.;
19:7:1:19     Thermoelectric Properties of p-Type Mg2.00Si0.25Sn0.75 with Li and Ag Double Doping
DOI:10.1007/s11664-010-1280-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:22  AU: Isoda, Y.;Tada, S.;Nagai, T.;Fujiu, H.;Shinohara, Y.;
19:7:1:20     Effect of vacancies on the thermoelectric properties of Mg2Si1-xSbx (0 <= x <= 0.1)
DOI:10.1103/PhysRevB.83.235207  JN:PHYSICAL REVIEW B  PY:2011
  TC:15  AU: Dasgupta, T.;Stiewe, C.;Hassdorf, R.;Zhou, A. J.;Boettcher, L.;Mueller, E.;
19:7:1:21     Thermoelectric Properties of the Entire Composition Range in Mg2Si0.9925-x Sn (x) Sb-0.0075
DOI:10.1007/s11664-012-2282-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Sondergaard, M.;Christensen, M.;Borup, K. A.;Yin, H.;Iversen, B. B.;
19:7:1:22     Effect of geometric dimensions on thermoelectric and mechanical performance for Mg2Si-based thermoelectric unicouple
DOI:10.1016/j.mssp2013.08.009  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2014
  TC:0  AU: Mu, Yu;Chen, Gang;Yu, Rui;Li, Guodong;Zhai, Pengcheng;Li, Peng;
19:7:1:23     Synchrotron Study of Ag-Doped Mg2Si: Correlation Between Properties and Structure
DOI:10.1007/s11664-014-3119-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Prytuliak, Anastasiia;Godlewska, Elzbieta;Mars, Krzysztof;Berthebaud, David;
19:7:1:24     Thermal stability and thermoelectric properties of Mg2Si0.4Sn0.6 and Mg2Si0.6Sn0.4
DOI:10.1007/s10853-012-6967-0  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:5  AU: Sondergaard, Martin;Christensen, Mogens;Borup, Kasper A.;Yin, Hao;Iversen, Bo B.;
19:7:1:25     Thermoelectric properties of thin films of Sb doped Mg2Si1-xSnx solid solutions
DOI:10.1016/j.jallcom.2012.08.053  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:0  AU: Le-Quoc, H.;Bechu, S.;Populoh, S.;Weidenkaff, A.;Lacoste, A.;
19:7:1:26     Thermoelectric Properties of Mg-2(Si0.3Sn0.7)(1-y) Sb (y) Solid Solutions Doped with Co as CoSi Secondary Phase
DOI:10.1007/s11664-014-3002-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Zhang, Q.;Liu, W.;Liu, C.;Yin, K.;Tang, X. F.;
19:7:1:27     Effect of Sb Doping on the Thermoelectric Properties of Mg2Si0.7Sn0.3 Solid Solutions
DOI:10.1007/s11664-011-1584-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:14  AU: Gao, H. L.;Liu, X. X.;Zhu, T. J.;Yang, S. H.;Zhao, X. B.;
19:7:1:28     Miscibility gap and thermoelectric properties of ecofriendly Mg2Si1-xSnx (0.1 <= x <= 0.8) solid solutions by flux method
DOI:10.1557/jmr.2011.385  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:7  AU: Chen, Luxin;Jiang, Guangyu;Chen, Yi;Du, Zhengliang;Zhao, Xinbing;Zhu, Tiejun;He, Jian;Tritt, Terry M.;
19:7:1:29     Solid-State Synthesis and Thermoelectric Properties of Mg2+xSi0.7Sn0.3Sbm
DOI:10.1155/2013/815925  JN:JOURNAL OF NANOMATERIALS  PY:2013
  TC:1  AU: You, Sin-Wook;Kim, Il-Ho;Choi, Soon-Mok;Seo, Won-Seon;
19:7:1:30     Effects of Al/Sb Double Doping on the Thermoelectric Properties of Mg2Si0.75Sn0.25
DOI:10.1007/s11664-013-2947-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:4  AU: Isoda, Y.;Held, M.;Tada, S.;Shinohara, Y.;
19:7:1:31     Preparation and Thermoelectric Properties of Bi-Doped Mg2Si0.8Sn0.2 Compound
DOI:10.2320/matertrans.MC200908  JN:MATERIALS TRANSACTIONS  PY:2010
  TC:7  AU: Luo, Weijun;Yang, Meijun;Chen, Fei;Shen, Qiang;Jiang, Hongyi;Zhang, Lianmeng;
19:7:1:32     Icurrency signhe Effect of Ge on Mg2Si0.6-xSn0.4Gex Materials
DOI:10.1007/s11664-014-3235-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Vlachos, N.;Hatzikraniotis, E.;Mihailescu, C. N.;Giapintzakis, J.;Kyratsi, Th;
19:7:1:33     Defects in PbTe doped with telluride VTe2: Positron spectroscopy study
DOI:10.1016/j.matlet.2009.12.027  JN:MATERIALS LETTERS  PY:2010
  TC:3  AU: Vinokurov, A. A.;Zlomanov, V. P.;Elsayed, M.;Krause-Rehberg, R.;
19:7:2:1     Mechanochemical synthesis and thermoelectric properties of high quality magnesium silicide
DOI:10.1039/c1jm10827a  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:53  AU: Bux, Sabah K.;Yeung, Michael T.;Toberer, Eric S.;Snyder, G. Jeffrey;Kaner, Richard B.;Fleurial, Jean-Pierre;
19:7:2:2     Microstructural effects on thermoelectric efficiency: A case study on magnesium suicide
DOI:10.1016/j.actamat.2014.05.041  JN:ACTA MATERIALIA  PY:2014
  TC:4  AU: de Boor, Johannes;Dasgupta, Titas;Kolb, Hendrik;Compere, Camille;Kelm, Klemens;Mueller, Echard;
19:7:2:3     Modeling of Thermoelectric Properties of Magnesium Silicide (Mg2Si)
DOI:10.1007/s11664-012-2024-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:17  AU: Satyala, Nikhil;Vashaee, Daryoosh;
19:7:2:4     The effect of crystallite size on thermoelectric properties of bulk nanostructured magnesium silicide (Mg2Si) compounds
DOI:10.1063/1.3684615  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:17  AU: Satyala, Nikhil;Vashaee, Daryoosh;
19:7:2:5     Fabrication parameters for optimized thermoelectric Mg2Si
DOI:10.1007/s10853-014-8023-8  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:3  AU: de Boor, J.;Compere, C.;Dasgupta, T.;Stiewe, C.;Kolb, H.;Schmitz, A.;Mueller, E.;
19:7:2:6     Synthesis and characterization of Mg2Si/Si nanocomposites prepared from MgH2 and silicon, and their thermoelectric properties
DOI:10.1039/c2jm35257e  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:15  AU: Yi, Tanghong;Chen, Shaoping;Li, Shawn;Yang, Hao;Bux, Sabah;Bian, Zhixi;Katcho, Nebil A.;Shakouri, Ali;Mingo, Natalio;Fleurial, Jean-Pierre;Browning, Nigel D.;Kauzlarich, Susan M.;
19:7:2:7     Synthesis and Thermoelectric Properties of n-Type Mg2Si
DOI:10.3365/eml.2010.12.187  JN:ELECTRONIC MATERIALS LETTERS  PY:2010
  TC:18  AU: Jung, Jae-Yong;Kim, Il-Ho;
19:7:2:8     Spark plasma sintering and thermoelectric evaluation of nanocrystalline magnesium silicide (Mg2Si)
DOI:10.1007/s10853-012-6959-0  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:8  AU: Saleemi, M.;Toprak, M. S.;Fiameni, S.;Boldrini, S.;Battiston, S.;Famengo, A.;Stingaciu, M.;Johnsson, M.;Muhammed, M.;
19:7:2:9     Comparing Doping Methodologies in Mg2Si/AgMg System
DOI:10.1007/s11664-014-3356-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Polymeris, G. S.;Theodorakakos, A.;Mars, K.;Godlewska, E.;Lioutas, Ch B.;Hatzikraniotis, E.;Paraskevopoulos, K. M.;
19:7:2:10     Thermodynamic properties of Mg2Si and Mg2Ge investigated by first principles method
DOI:10.1016/j.jallcom.2010.01.134  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:16  AU: Wang, Hanfu;Jin, Hao;Chu, Weiguo;Guo, Yanjun;
19:7:2:11     The Influence of Grain Boundary Scattering on Thermoelectric Properties of Mg2Si and Mg2Si0.8Sn0.2
DOI:10.1007/s11664-012-2403-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:9  AU: Pshenai-Severin, D. A.;Fedorov, M. I.;Samunin, A. Yu.;
19:7:2:12     Structure, morphology and electrical properties of Mg2Si layers deposited by pack cementation
DOI:10.1016/j.apsusc.2013.08.070  JN:APPLIED SURFACE SCIENCE  PY:2013
  TC:6  AU: Stathokostopoulos, D.;Chaliampalias, D.;Stefanaki, E. C.;Polymeris, G.;Pavlidou, E.;Chrissafis, K.;Hatzikraniotis, E.;Paraskevopoulos, K. M.;Vourlias, G.;
19:7:2:13     Fabrication of nanocrystalline Mg2Si via ball milling process: Structural studies
DOI:10.1016/j.powtec.2011.11.014  JN:POWDER TECHNOLOGY  PY:2012
  TC:3  AU: Loannou, M.;Hatzikraniotis, E.;Lioutas, Ch.;Hassapis, Th.;Altantzis, Th.;Paraskevopoulos, K. M.;Kyratsi, Th.;
19:7:2:14     Thermoelectric Properties of Hot-Pressed Materials Based on Mg2Si (n) Sn1-n
DOI:10.1007/s11664-012-2372-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:10  AU: Samunin, A. Yu.;Zaitsev, V. K.;Konstantinov, P. P.;Fedorov, M. I.;Isachenko, G. N.;Burkov, A. T.;Novikov, S. V.;Gurieva, E. A.;
19:7:2:15     A simple phase transformation strategy for converting silicon nanowires into metal suicide nanowires: Magnesium silicide
DOI:10.1016/j.matlet.2013.02.112  JN:MATERIALS LETTERS  PY:2013
  TC:3  AU: Kang, Yongmin;Brockway, Lance;Vaddiraju, Sreeram;
19:7:2:16     Solid-State Synthesis and Thermoelectric Properties of Sb-Doped Mg2Si Materials
DOI:10.1007/s11664-012-2442-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:12  AU: Ioannou, M.;Polymeris, G.;Hatzikraniotis, E.;Khan, A. U.;Paraskevopoulos, K. M.;Kyratsi, Th.;
19:7:2:17     Formation of the Thermoelectric Candidate Chromium Silicide by Use of a Pack-Cementation Process
DOI:10.1007/s11664-014-3100-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Stathokostopoulos, D.;Chaliampalias, D.;Tarani, E.;Theodorakakos, A.;Giannoulatou, V.;Polymeris, G. S.;Pavlidou, E.;Chrissafis, K.;Hatzikraniotis, E.;Paraskevopoulos, K. M.;Vourlias, G.;
19:7:3:1     Significant enhancement of thermoelectric properties and metallization of Al-doped Mg2Si under pressure
DOI:10.1063/1.4881015  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Morozova, Natalia V.;Ovsyannikov, Sergey V.;Korobeinikov, Igor V.;Karkin, Alexander E.;Takarabe, Ken-ichi;Mori, Yoshihisa;Nakamura, Shigeyuki;Shchennikov, Vladimir V.;
19:7:3:2     Thermoelectric Characteristics of a Commercialized Mg2Si Source Doped with Al, Bi, Ag, and Cu
DOI:10.1007/s11664-010-1155-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:49  AU: Sakamoto, Tatsuya;Iida, Tsutomu;Matsumoto, Atsunobu;Honda, Yasuhiko;Nemoto, Takashi;Sato, Junichi;Nakajima, Tadao;Taguchi, Hirohisa;Takanashi, Yoshifumi;
19:7:3:3     Synthesis and Characterization of Al-Doped Mg2Si Thermoelectric Materials
DOI:10.1007/s11664-013-2482-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:17  AU: Battiston, S.;Fiameni, S.;Saleemi, M.;Boldrini, S.;Famengo, A.;Agresti, F.;Stingaciu, M.;Toprak, M. S.;Fabrizio, M.;Barison, S.;
19:7:3:4     Synthesis of Mg2Si for thermoelectric applications using magnesium alloy and spark plasma sintering
DOI:10.1016/j.jallcom.2013.11.092  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Hu, Xiaokai;Mayson, Dylan;Barnett, Matthew R.;
19:7:3:5     Theoretical study on thermoelectric properties of Mg2Si and comparison to experiments
DOI:10.1016/j.commatsci.2012.03.039  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2012
  TC:12  AU: Wang, Hanfu;Chu, Weiguo;Jin, Hao;
19:7:3:6     Quantitative analysis of interstitial Mg in Mg2Si studied by single crystal X-ray diffraction
DOI:10.1016/j.jallcom.2014.07.137  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Kubouchi, M.;Hayashi, K.;Miyazaki, Y.;
19:7:3:7     Solid-State Synthesis and Thermoelectric Properties of Al-Doped Mg2Si
DOI:10.1007/s11664-011-1786-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:13  AU: You, Sin-Wook;Park, Kwan-Ho;Kim, Il-Ho;Choi, Soon-Mok;Seo, Won-Seon;Kim, Sun-Uk;
19:7:3:8     Computational Investigation of the Electronic and Thermoelectric Properties of Strained Bulk Mg2Si
DOI:10.1007/s11664-014-3166-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Balout, Hilal;Boulet, Pascal;Record, Marie-Christine;
19:7:3:9     Introduction of Metal Oxides into Mg2Si Thermoelectric Materials by Spark Plasma Sintering
DOI:10.1007/s11664-013-2522-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Fiameni, S.;Famengo, A.;Boldrini, S.;Battiston, S.;Saleemi, M.;Stingaciu, M.;Jhonsson, M.;Barison, S.;Fabrizio, M.;
19:7:3:10     Analysis of the Microstructure of Mg2Si Thermoelectric Devices
DOI:10.1007/s11664-014-3000-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Nakamura, Shigeyuki;Mori, Yoshihisa;Takarabe, Ken'ichi;
19:7:3:11     Thermoelectric properties and power generation characteristics of sintered undoped n-type Mg2Si
DOI:10.1016/j.tsf.2011.05.031  JN:THIN SOLID FILMS  PY:2011
  TC:14  AU: Sakamoto, Tatsuya;Iida, Tsutomu;Fukushima, Naoki;Honda, Yasuhiko;Tada, Mitsuhiro;Taguchi, Yutaka;Mito, Yohiko;Taguchi, Hirohisa;Takanashi, Yoshifumi;
19:7:3:12     Test Rig for High-Temperature Thermopower and Electrical Conductivity Measurements
DOI:10.1007/s11664-012-2437-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:5  AU: Boldrini, S.;Famengo, A.;Montagner, F.;Battiston, S.;Fiameni, S.;Fabrizio, M.;Barison, S.;
19:7:3:13     Effect of Synthesis and Sintering Conditions on the Thermoelectric Properties of n-Doped Mg2Si
DOI:10.1007/s11664-014-3048-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Fiameni, S.;Famengo, A.;Agresti, F.;Boldrini, S.;Battiston, S.;Saleemi, M.;Johnsson, M.;Toprak, M. S.;Fabrizio, M.;
19:7:3:14     High-Performance p-Type Magnesium Silicon Thermoelectrics
DOI:10.1007/s11664-012-2450-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Kajitani, T.;Kubouchi, M.;Kikuchi, S.;Hayashi, K.;Ueno, T.;Miyazaki, Y.;Yubuta, K.;
19:7:3:15     Electronic properties of the Mg2Si thermoelectric material investigated by linear-response density-functional theory
DOI:10.1016/j.commatsci.2010.10.020  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2011
  TC:12  AU: Boulet, P.;Verstraete, M. J.;Crocombette, J. -P.;Briki, M.;Record, M. -C.;
19:7:3:16     Theoretical model obtained in momentum space for charge transport in a system consisting of noninteracting polarons
DOI:10.1103/PhysRevB.85.115302  JN:PHYSICAL REVIEW B  PY:2012
  TC:0  AU: Marsusi, F.;Sabbaghzadeh, J.;
19:7:3:17     Electron Density Distribution in Mn4Si7
DOI:10.1007/s11664-010-1210-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:1  AU: Kajitani, T.;Yubuta, K.;Shishido, T.;Okada, S.;
19:7:4:1     Doping and temperature dependence of thermoelectric properties in Mg-2(Si,Sn)
DOI:10.1103/PhysRevB.86.155204  JN:PHYSICAL REVIEW B  PY:2012
  TC:18  AU: Pulikkotil, J. J.;Singh, D. J.;Auluck, S.;Saravanan, M.;Misra, D. K.;Dhar, A.;Budhani, R. C.;
19:7:4:2     Electron transport modeling and energy filtering for efficient thermoelectric Mg2Si1-xSnx solid solutions
DOI:10.1103/PhysRevB.89.075204  JN:PHYSICAL REVIEW B  PY:2014
  TC:2  AU: Bahk, Je-Hyeong;Bian, Zhixi;Shakouri, Ali;
19:7:4:3     Calculating electron transport coefficients of disordered alloys using the KKR-CPA method and Boltzmann approach: Application to Mg2Si1-xSnx thermoelectrics
DOI:10.1103/PhysRevB.87.195205  JN:PHYSICAL REVIEW B  PY:2013
  TC:9  AU: Kutorasinski, K.;Tobola, J.;Kaprzyk, S.;
19:7:4:4     Thermoelectric properties and electronic structure of p-type Mg2Si and Mg2Si0.6Ge0.4 compounds doped with Ga
DOI:10.1016/j.jallcom.2011.03.081  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:31  AU: Ihou-Mouko, H.;Mercier, C.;Tobola, J.;Pont, G.;Scherrer, H.;
19:7:4:5     A Theoretical Search for Efficient Dopants in Mg2X (X = Si, Ge, Sn) Thermoelectric Materials
DOI:10.1007/s11664-011-1624-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:21  AU: Zwolenski, P.;Tobola, J.;Kaprzyk, S.;
19:7:4:6     Electronic structure and thermoelectric properties of p-type Ag-doped Mg2Sn and Mg2Sn1-xSix (x=0.05, 0.1)
DOI:10.1063/1.4898013  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Kim, Sunphil;Wiendlocha, Bartlomiej;Jin, Hyungyu;Tobola, Janusz;Heremans, Joseph P.;
19:7:4:7     Importance of relativistic effects in electronic structure and thermopower calculations for Mg2Si, Mg2Ge, and Mg2Sn
DOI:10.1103/PhysRevB.89.115205  JN:PHYSICAL REVIEW B  PY:2014
  TC:1  AU: Kutorasinski, K.;Wiendlocha, B.;Tobola, J.;Kaprzyk, S.;
19:7:4:8     Mg-Vacancy-Induced Semiconducting Properties in Mg2Si1-x Sb (x) from Electronic Structure Calculations
DOI:10.1007/s11664-009-1000-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:19  AU: Tobola, Janusz;Kaprzyk, Stanislaw;Scherrer, Hubert;
19:7:4:9     Electronic Structure and Thermoelectric Properties of Pseudoquaternary Mg2Si1-x-ySnxGey-Based Materials
DOI:10.1007/s11664-014-3214-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Kutorasinski, K.;Tobola, J.;Kaprzyk, S.;Khan, A. U.;Kyratsi, Th;
19:7:4:10     Origin of n-type conductivity of Sn-doped Mg2Si from first principles
DOI:10.1063/1.4733996  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:6  AU: Han, Xiaoping;Shao, Guosheng;
19:7:4:11     First-Principles and Experimental Studies of Y-Doped Mg2Si Prepared Using Field-Activated Pressure-Assisted Synthesis
DOI:10.1007/s11664-011-1601-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:8  AU: Fan, Wenhao;Chen, Ruixue;Wang, Liqi;Han, Peide;Meng, Qingsen;
19:7:4:12     Thermoelectric Properties of p-Type Mg2Si0.25Sn0.75 Doped with Sodium Acetate and Metallic Sodium
DOI:10.1007/s11664-013-2797-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:4  AU: Tada, Satoki;Isoda, Yukihiro;Udono, Haruhiko;Fujiu, Hirofumi;Kumagai, Shunji;Shinohara, Yoshikazu;
19:7:4:13     Electrical Properties of (110)-Oriented Nondoped Mg2Si Films with p-Type Conduction Prepared by RF Magnetron Sputtering Method
DOI:10.1007/s11664-014-3040-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Ogawa, Shota;Katagiri, Atsuo;Shimizu, Takao;Matsushima, Masaaki;Akiyama, Kensuke;Kimura, Yoshisato;Uchida, Hiroshi;Funakubo, Hiroshi;
19:7:4:14     Electronic structure and thermoelectric properties of p-type Ag-doped Mg2Sn and Mg2Sn1-xSix (x = 0.05, 0.1) (vol 116, 153706, 2014)
DOI:10.1063/1.4901322  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Kim, Sunphil;Wiendlocha, Bartlomiej;Jin, Hyungyu;Tobola, Janusz;Heremans, Joseph P.;
19:7:5:1     Thermoelectric properties of Sc- and Y-doped Mg2Si prepared by field-activated and pressure-assisted reactive sintering
DOI:10.1016/j.jallcom.2011.05.033  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:16  AU: Meng, Q. S.;Fan, W. H.;Chen, R. X.;Munir, Z. A.;
19:7:5:2     Conducting grain boundaries enhancing thermoelectric performance in doped Mg2Si
DOI:10.1063/1.4816802  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:4  AU: Muthiah, Saravanan;Pulikkotil, Jiji;Srivastava, A. K.;Kumar, Ashok;Pathak, B. D.;Dhar, Ajay;Budhani, R. C.;
19:7:5:3     Enhanced thermoelectric properties of Mg2Si by addition of TiO2 nanoparticles
DOI:10.1063/1.3675512  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:17  AU: Cederkrantz, D.;Farahi, N.;Borup, K. A.;Iversen, B. B.;Nygren, M.;Palmqvist, A. E. C.;
19:7:5:4     Preparation of Mg2Si1-x Sn (x) by Induction Melting and Spark Plasma Sintering, and Thermoelectric Properties
DOI:10.1007/s11664-010-1310-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:19  AU: Zhang, Xin;Lu, Qing-mei;Wang, Lei;Zhang, Fei-peng;Zhang, Jiu-xing;
19:7:5:5     Double-Doping Approach to Enhancing the Thermoelectric Figure-of-Merit of n-Type Mg2Si Synthesized by Use of Spark Plasma Sintering
DOI:10.1007/s11664-013-2944-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Muthiah, Saravanan;Sivaiah, B.;Gahtori, B.;Tyagi, K.;Srivastava, A. K.;Pathak, B. D.;Dhar, Ajay;Budhani, R. C.;
19:7:5:6     Enhanced thermoelectric performance of Mg2Si0.4Sn0.6 solid solutions by in nanostructures and minute Bi-doping
DOI:10.1063/1.4816971  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:8  AU: Zhang, Xin;Liu, Hongliang;Lu, Qingmei;Zhang, Jiuxing;Zhang, Feipeng;
19:7:5:7     Solid-State Synthesis of Te-Doped Mg2Si
DOI:10.1007/s11664-011-1558-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:9  AU: Jung, Jae-Yong;Kim, Il-Ho;
19:7:5:8     Tunable microstructures and improved thermoelectric performance of Mg-2(Si0.4-xSbxSn0.6) solid solutions
DOI:10.1016/j.matlet.2014.02.038  JN:MATERIALS LETTERS  PY:2014
  TC:1  AU: Zhang, Xin;Liu, Hongliang;Li, Songhao;Zhang, Feipeng;Lu, Qingmei;Zhang, Jiuxing;
19:7:5:9     Mechanical Properties and Scratch Test Studies of New Ultra-hard AlMgB14 Modified by MWCNTs
DOI:10.1080/10584587.2014.874853  JN:INTEGRATED FERROELECTRICS  PY:2014
  TC:0  AU: Liu, Wen;Luo, Cai-Xia;Yan, Jian-Xin;Zhang, Tie-Ming;
19:7:6:1     Thermoelectric Behavior of Sb- and Al-Doped n-Type Mg2Si Device Under Large Temperature Differences
DOI:10.1007/s11664-010-1489-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:23  AU: Sakamoto, Tatsuya;Iida, Tsutomu;Kurosaki, Shota;Yano, Kenji;Taguchi, Hirohisa;Nishio, Keishi;Takanashi, Yoshifumi;
19:7:6:2     Power Generation Characteristics of Mg2Si Uni-Leg Thermoelectric Generator
DOI:10.1007/s11664-012-1963-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:14  AU: Nemoto, T.;Iida, T.;Sato, J.;Sakamoto, T.;Nakajima, T.;Takanashi, Y.;
19:7:6:3     Design of segmented thermoelectric generator based on cost-effective and light-weight thermoelectric alloys
DOI:10.1016/j.mseb.2014.02.005  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2014
  TC:4  AU: Kim, Hee Seok;Kikuchi, Keiko;Itoh, Takashi;Iida, Tsutomu;Taya, Minoru;
19:7:6:4     Examination of a Thermally Viable Structure for an Unconventional Uni-Leg Mg2Si Thermoelectric Power Generator
DOI:10.1007/s11664-012-1974-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Sakamoto, Tatsuya;Iida, Tsutomu;Taguchi, Yutaka;Kurosaki, Shota;Hayatsu, Yusuke;Nishio, Keishi;Kogo, Yasuo;Takanashi, Yoshifumi;
19:7:6:5     The Use of Transition-Metal Silicides to Reduce the Contact Resistance Between the Electrode and Sintered -Type Mg2Si
DOI:10.1007/s11664-012-2073-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:9  AU: Sakamoto, Tatsuya;Iida, Tsutomu;Honda, Yasuhiko;Tada, Mitsuhiro;Sekiguchi, Takeshi;Nishio, Keishi;Kogo, Yasuo;Takanashi, Yoshihumi;
19:7:6:6     Development of an Mg2Si Unileg Thermoelectric Module Using Durable Sb-Doped Mg2Si Legs
DOI:10.1007/s11664-013-2569-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:6  AU: Nemoto, Takashi;Iida, Tsutomu;Sato, Junichi;Sakamoto, Tatsuya;Hirayama, Naomi;Nakajima, Tadao;Takanashi, Yoshihumi;
19:7:6:7     Stress Analysis and Output Power Measurement of an n-Mg2Si Thermoelectric Power Generator with an Unconventional Structure
DOI:10.1007/s11664-013-2814-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Sakamoto, Tatsuya;Iida, Tsutomu;Ohno, Yota;Ishikawa, Masashi;Kogo, Yasuo;Hirayama, Naomi;Arai, Koya;Nakamura, Takashi;Nishio, Keishi;Takanashi, Yoshifumi;
19:7:6:8     Improvement in the Durability and Heat Conduction of uni-leg Thermoelectric Modules Using n-type Mg2Si Legs
DOI:10.1007/s11664-013-2897-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Nemoto, Takashi;Iida, Tsutomu;Sato, Junichi;Suda, Hiroshi;Takanashi, Yoshifumi;
19:7:6:9     Convenient Melt-Growth Method for Thermoelectric Mg2Si
DOI:10.1007/s11664-014-3014-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Kambe, K.;Udono, H.;
19:7:6:10     Spark plasma sintering of fine Mg2Si particles
DOI:10.1016/j.powtec.2012.05.036  JN:POWDER TECHNOLOGY  PY:2012
  TC:12  AU: Savary, Etienne;Gascoin, Franck;Marinel, Sylvain;Heuguet, Romain;
19:7:6:11     Design of linear shaped thermoelectric generator and self-integration using shape memory alloy
DOI:10.1016/j.mseb.2013.11.012  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2014
  TC:4  AU: Kim, Hee Seok;Itoh, Takashi;Iida, Tsutomu;Taya, Minoru;Kikuchi, Keiko;
19:7:6:12     Selection and Evaluation of Thermal Interface Materials for Reduction of the Thermal Contact Resistance of Thermoelectric Generators
DOI:10.1007/s11664-014-3165-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Sakamoto, Tatsuya;Iida, Tsutomu;Sekiguchi, Takeshi;Taguchi, Yutaka;Hirayama, Naomi;Nishio, Keishi;Takanashi, Yoshifumi;
19:7:6:13     Design of Apparatus for Ni/Mg2Si and Ni/MnSi1.75 Contact Resistance Determination for Thermoelectric Legs
DOI:10.1007/s11664-013-2940-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Thimont, Yohann;Lognone, Quentin;Goupil, Christophe;Gascoin, Franck;Guilmeau, Emmanuel;
19:7:6:14     Multilayered thin films for oxidation protection of Mg2Si thermoelectric material at middle-high temperatures
DOI:10.1016/j.tsf.2012.10.114  JN:THIN SOLID FILMS  PY:2012
  TC:2  AU: Battiston, S.;Boldrini, S.;Fiameni, S.;Famengo, A.;Fabrizio, M.;Barison, S.;
19:7:7:1     Thermoelectric properties of magnesium silicide fabricated using vacuum plasma thermal spray
DOI:10.1063/1.4825045  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Fu, Gaosheng;Zuo, Lei;Longtin, Jon;Nie, Chao;Gambino, Richard;
19:7:7:2     Nanostructures and defects in nonequilibrium-synthesized filled skutterudite CeFe4Sb12
DOI:10.1557/jmr.2011.79  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:5  AU: Zhou, Juan;Jie, Qing;Wu, Lijun;Dimitrov, Ivo;Li, Qiang;Shi, Xun;
19:7:7:3     Thin films of thermoelectric compound Mg2Sn deposited by co-sputtering assisted by multi-dipolar microwave plasma
DOI:10.1016/j.jallcom.2011.07.085  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:4  AU: Le-Quoc, H.;Lacoste, A.;Hlil, E. K.;Bes, A.;Vinh, T. Tan;Fruchart, D.;Skryabina, N.;
19:7:7:4     Deposition of thin films of Mg2Si1-xSnx solid solution by plasma-assisted co-sputtering
DOI:10.1016/j.jallcom.2012.06.003  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:2  AU: Le-Quoc, H.;Lacoste, A.;Bechu, S.;Bes, A.;Bourgault, D.;Fruchart, D.;
19:7:7:5     Thermoelectric Performance of p-Type Mg2Si0.25Sn0.75 with Li and Ag Double Doping
DOI:10.2320/matertrans.MH200906  JN:MATERIALS TRANSACTIONS  PY:2010
  TC:6  AU: Isoda, Yukihiro;Tada, Satoki;Nagai, Takahiro;Fujiu, Hirofumi;Shinohara, Yoshikazu;
19:7:7:6     Thermoelectric Properties of Magnesium Silicide Deposited by Use of an Atmospheric Plasma Thermal Spray
DOI:10.1007/s11664-014-3103-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Fu, Gaosheng;Zuo, Lei;Longtin, Jon;Nie, Chao;Chen, Yikai;Tewolde, Mahder;Sampath, Sanjay;
19:7:8:1     Combinatorial Approach Based on Interdiffusion Experiments for the Design of Thermoelectrics: Application to the Mg-2(Si,Sn) Alloys
DOI:10.1021/cm502413t  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:3  AU: Vives, Solange;Bellanger, Philippe;Gorsse, Stephane;Wei, Changdong;Zhang, Qiaofu;Zhao, Ji-Cheng;
19:7:8:2     Bulk Nanostructured Thermoelectric Materials: Preparation, Structure and Properties
DOI:10.1007/s11664-009-1037-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:7  AU: Zhu, Tie-Jun;Cao, Yi-Qi;Zhang, Qian;Zhao, Xin-Bing;
19:7:8:3     Solid-State Synthesis and Thermoelectric Properties of Mg2Si1-x Sn (x)
DOI:10.1007/s11664-012-2296-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: You, Sin-Wook;Kim, Il-Ho;Choi, Soon-Mok;Seo, Won-Seon;Kim, Sun-Uk;
19:7:8:4     Impurity and interdiffusion coefficients of the Cr-X (X = Co, Fe, Mo, Nb, Ni, Pd, Pt, Ta) binary systems
DOI:10.1016/j.jallcom.2014.03.092  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Zhang, Qiaofu;Zhao, Ji-Cheng;
19:7:8:5     Thermal conductivity mapping of the Ni-Al system and the beta-NiAl phase in the Ni-Al-Cr system
DOI:10.1016/j.scriptamat.2012.02.035  JN:SCRIPTA MATERIALIA  PY:2012
  TC:8  AU: Zhao, Ji-Cheng;Zheng, Xuan;Cahill, David G.;
19:7:9:1     Molecular Dynamics Simulation of the Mechanical Properties of Single-Crystal Bulk Mg2Si
DOI:10.1007/s11664-012-1916-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:7  AU: Yu, Rui;Zhai, Pengcheng;Li, Guodong;Liu, Lisheng;
19:7:9:2     Vacancy and Temperature Effects on Mechanical Properties of Single-Crystal Bulk Mg2Si: A Molecular Dynamics Study
DOI:10.1007/s11664-013-2825-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Yu, Rui;Yang, Shuyong;Chen, Gang;Zhai, Pengcheng;Liu, Lisheng;
19:7:9:3     Thermal stability and elastic properties of Mg2X (X = Si, Ge, Sn, Pb) phases from first-principle calculations
DOI:10.1016/j.commatsci.2011.07.012  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2012
  TC:15  AU: Zhou, Dianwu;Liu, Jinshui;Xu, Shaohua;Peng, Ping;
19:7:9:4     Molecular Dynamics Simulation on Mechanics of Mg2Si Nanofilm
DOI:10.1007/s11664-012-2289-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Yu, Rui;Yang, Shuyong;Zhai, Pengcheng;Liu, Lisheng;
19:8:1     Enhancement of the Thermoelectric Performance of p-Type Layered Oxide Ca3Co4O9+delta Through Heavy Doping and Metallic Nanoinclusions
DOI:10.1002/adma.201004782  JN:ADVANCED MATERIALS  PY:2011
  TC:59  AU: Ngo Van Nong;Pryds, Nini;Linderoth, Soren;Ohtaki, Michitaka;
19:8:2     Strongly Correlated Properties and Enhanced Thermoelectric Response in Ca3CO4-xMxO9 (M = Fe, Mn, and Cu)
DOI:10.1021/cm902483a  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:77  AU: Wang, Yang;Sui, Yu;Ren, Peng;Wang, Lan;Wang, Xianjie;Su, Wenhui;Fan, Hongjin;
19:8:3     Enhanced high temperature thermoelectric characteristics of transition metals doped Ca3Co4O9+delta by cold high-pressure fabrication
DOI:10.1063/1.3291125  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:57  AU: Wang, Yang;Sui, Yu;Wang, Xianjie;Su, Wenhui;Liu, Xiaoyang;
19:8:4     High temperature thermoelectric properties and energy transfer devices of Ca3Co4-xAgxO9 and Ca1-ySmyMnO3
DOI:10.1016/j.jallcom.2011.06.113  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:18  AU: Han, Ling;Jiang, Yang;Li, Shanying;Su, Huangming;Lan, Xinzheng;Qin, Kaixuan;Han, Tingting;Zhong, Honghai;Chen, Lei;Yu, Dabin;
19:8:5     Improvement on the high temperature thermoelectric performance of Ga-doped misfit-layered Ca3Co4-xGaxO9+delta (x=0, 0.05, 0.1, and 0.2)
DOI:10.1016/j.jallcom.2009.11.009  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:53  AU: Nong, N. V.;Liu, Chia-Jyi;Ohtaki, M.;
19:8:6     High-temperature thermoelectric properties of late rare earth-doped Ca3Co4O9+delta
DOI:10.1016/j.jallcom.2010.09.150  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:47  AU: Nong, N. V.;Liu, Chia-Jyi;Ohtaki, M.;
19:8:7     Synthesis, mechanical and magnetic properties of transition metals-doped Ca3Co3.8M0.2O9
DOI:10.1016/j.jallcom.2010.05.027  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:32  AU: Pinitsoontorn, S.;Lerssongkram, N.;Harnwunggmoung, A.;Kurosaki, K.;Yamanaka, S.;
19:8:8     Fabrication and thermoelectric properties of highly textured Ca9Co12O28 ceramic
DOI:10.1016/j.jallcom.2013.07.145  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:11  AU: Wang, Huadong;Sun, Xudong;Yan, Xinlin;Huo, Di;Li, Xiaodong;Li, Ji-Guang;Ding, Xueyong;
19:8:9     Tunning of microstructure and thermoelectric properties of Ca3Co4O9 ceramics by high-magnetic-field sintering
DOI:10.1063/1.3671403  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:21  AU: Huang, Yanan;Zhao, Bangchuan;Fang, Jun;Ang, Ran;Sun, Yuping;
19:8:10     Ca3Co4O9 ceramics consolidated by SPS process: Optimisation of mechanical and thermoelectric properties
DOI:10.1016/j.materresbull.2010.05.006  JN:MATERIALS RESEARCH BULLETIN  PY:2010
  TC:36  AU: Kenfaui, Driss;Bonnefont, Guillaume;Chateigner, Daniel;Fantozzi, Gilbert;Gomina, Moussa;Noudem, Jacques Guillaume;
19:8:11     Toward the enhancement of thermoelectric properties of lamellar Ca3Co4O9 by edge-free spark plasma texturing
DOI:10.1016/j.scriptamat.2011.11.004  JN:SCRIPTA MATERIALIA  PY:2012
  TC:34  AU: Noudem, Jacques G.;Kenfaui, Driss;Chateigner, Daniel;Gomina, Moussa;
19:8:12     Improvement on the low-temperature thermoelectric characteristics of Ca3-xYbxCo4O9+delta (0 <= x <= 0.10)
DOI:10.1016/j.ceramint.2013.11.040  JN:CERAMICS INTERNATIONAL  PY:2014
  TC:6  AU: Bhaskar, Ankam;Huang, Y. -C.;Liu, Chia-Jyi;
19:8:13     Enhanced electron correlation in rare-earth doped Ca3Co4O9
DOI:10.1063/1.3479923  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:32  AU: Wang, Yang;Xu, Luxiang;Sui, Yu;Wang, Xianjie;Cheng, Jinguang;Su, Wenhui;
19:8:14     Enhanced Thermoelectric Performance Induced by Cr Doping at Ca-Sites in Ca3Co4O9 System
DOI:10.1111/jace.13144  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2014
  TC:1  AU: Huang, Yanan;Zhao, Bangchuan;Lin, Shuai;Ang, Ran;Sun, Yuping;
19:8:15     Thermoelectric Properties of Ca3-x Ag (x) Co3.95Fe0.05O9+delta (0 a parts per thousand currency sign x a parts per thousand currency sign 0.3)
DOI:10.1007/s11664-013-2922-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Bhaskar, Ankam;Huang, Y. C.;Liu, Chia-Jyi;
19:8:16     High-temperature transport and thermoelectric properties of Ca3Co4-xTixO9
DOI:10.1016/j.jallcom.2010.04.055  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:19  AU: Xu, Luxiang;Li, Fang;Wang, Yang;
19:8:17     Thermoelectric performance of textured Ca3-xYbxCo4O9-delta ceramics
DOI:10.1016/j.jallcom.2010.04.014  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:26  AU: Xu, Jie;Wei, Changping;Jia, Kun;
19:8:18     Texture, mechanical and thermoelectric properties of Ca3Co4O9 ceramics
DOI:10.1016/j.jallcom.2009.10.048  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:39  AU: Kenfaui, Driss;Chateigner, Daniel;Gomina, Moussa;Noudem, Jacques Guillaume;
19:8:19     Thermoelectric Properties of Ca3-x Dy (x) Co4O9+delta with x=0.00, 0.02, 0.05, and 0.10
DOI:10.1007/s11664-013-2634-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:7  AU: Bhaskar, Ankam;Jhang, C. -S.;Liu, Chia-Jyi;
19:8:20     Thermoelectric properties of Ca3Co4O9+delta with Lu substitution
DOI:10.1007/s10853-010-4461-0  JN:JOURNAL OF MATERIALS SCIENCE  PY:2010
  TC:20  AU: Tang, G. D.;Wang, Z. H.;Xu, X. N.;Qiu, L.;Xing, L.;Du, Y. W.;
19:8:21     Thermoelectrics in misfit-layered oxides [(Ca,Ln)(2)CoO3](0.62)[CoO2]: From bulk to nano
DOI:10.1016/j.nanoen.2012.02.007  JN:NANO ENERGY  PY:2012
  TC:11  AU: Wang, Yang;Sui, Yu;Li, Fang;Xu, Luxiang;Wang, Xianjie;Su, Wenhui;Liu, Xiaoyang;
19:8:22     The effects of dual doping on the thermoelectric properties of Ca3-xMxCo4-yCuyO9 (M = Na, La)
DOI:10.1016/j.jallcom.2012.02.112  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:7  AU: Ou, Y.;Peng, J.;Li, F.;Yu, Z. X.;Ma, F. Y.;Xie, S. H.;Li, J. -F.;Li, J. Y.;
19:8:23     Effects of Synthesis and Spark Plasma Sintering Conditions on the Thermoelectric Properties of Ca3Co4O9+delta
DOI:10.1007/s11664-013-2546-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:8  AU: Wu, Ningyu;Holgate, Tim C.;Ngo Van Nong;Pryds, Nini;Linderoth, Soren;
19:8:24     Low-temperature thermoelectric and magnetic properties of Ca3-x Bi (x) Co4O9+delta (0 a parts per thousand currency sign x a parts per thousand currency sign 0.30)
DOI:10.1007/s10853-013-7820-9  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:6  AU: Bhaskar, Ankam;Lin, Z-R.;Liu, Chia-Jyi;
19:8:25     High-throughput synthesis of thermoelectric Ca3Co4O9 films
DOI:10.1063/1.4824212  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:5  AU: Pravarthana, D.;Lebedev, O. I.;Hebert, S.;Chateigner, D.;Salvador, P. A.;Prellier, W.;
19:8:26     The effect of Cr substitution on the structure and properties of misfit-layered Ca3Co4-xCrxO9+delta thermoelectric oxides
DOI:10.1016/j.jallcom.2013.11.034  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:8  AU: Prasoetsopha, Natkrita;Pinitsoontorn, Supree;Kamwanna, Teerasak;Amornkitbamrung, Vittaya;Kurosaki, Ken;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:8:27     Enhanced Thermoelectric Properties in Cu-Doped c-Axis-Oriented Ca3Co4O9+ Thin Films
DOI:10.1111/jace.12415  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2013
  TC:7  AU: Wei, Renhuai;Jian, Hongbin;Tang, Xianwu;Yang, Jie;Hu, Ling;Chen, Li;Dai, Jianming;Zhu, Xuebin;Sun, Yuping;
19:8:28     Thermoelectric Properties of Ca3-xDyxCo3.95Ga0.05O9+delta
DOI:10.1007/s11664-013-2752-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Bhaskar, Ankam;Jhang, C. -S.;Liu, Chia-Jyi;
19:8:29     On the origin of enhanced thermoelectricity in Fe doped Ca3Co4O9
DOI:10.1039/c3tc30481g  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2013
  TC:12  AU: Wu, Tao;Tyson, Trevor A.;Bai, Jianming;Pandya, Kaumudi;Jaye, Cherno;Fischer, Daniel;
19:8:30     Sodium Doping Effects on Layered Cobaltate Bi2Sr2Co2Oy Thin Films
DOI:10.1111/jace.12844  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2014
  TC:2  AU: Wei, Renhuai;Tang, Xianwu;Hui, Zhenzhen;Yang, Jie;Hu, Ling;Chen, Li;Dai, Jianming;Zhu, Xuebin;Sun, Yuping;
19:8:31     Development of multilayer textured Ca3Co4O9 materials for thermoelectric generators: Influence of the anisotropy on the transport properties
DOI:10.1016/j.jeurceramsoc.2012.03.022  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2012
  TC:14  AU: Kenfaui, Driss;Lenoir, Bertrand;Chateigner, Daniel;Ouladdiaf, Bachir;Gomina, Moussa;Noudem, Jacques Guillaume;
19:8:32     Anisotropic thermopower and magnetothermopower in a misfit-layered calcium cobaltite
DOI:10.1063/1.3592831  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:16  AU: Tang, G. D.;Guo, H. H.;Yang, T.;Zhang, D. W.;Xu, X. N.;Wang, L. Y.;Wang, Z. H.;Wen, H. H.;Zhang, Z. D.;Du, Y. W.;
19:8:33     Structure, magnetic and transport properties in Ca3Co4-xSbxO9 ceramics
DOI:10.1016/j.jallcom.2013.04.202  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:4  AU: Huang, Yanan;Zhao, Bangchuan;Ang, Ran;Lin, Shuai;Song, Wenhai;Sun, Yuping;
19:8:34     Enhanced Electron Correlation in the In-doped Misfit-Layered Cobaltite Ca3Co4O9 Ceramics
DOI:10.1111/jace.12083  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2013
  TC:6  AU: Huang, Yanan;Zhao, Bangchuan;Ang, Ran;Lin, Shuai;Huang, Zhonghao;Yin, Lihua;Tan, Shugang;Liu, Yu;Song, Wenhai;Sun, Yuping;
19:8:35     Evidence of spin-density-wave transition and enhanced thermoelectric properties in Ca3-xCexCo4O9+delta
DOI:10.1063/1.3313923  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:18  AU: Tang, G. D.;Wang, Z. H.;Xu, X. N.;Qiu, L.;Du, Y. W.;
19:8:36     High temperature thermoelectric properties of Ca3Co4O9+delta by auto-combustion synthesis and spark plasma sintering
DOI:10.1016/j.jeurceramsoc.2013.10.022  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2014
  TC:10  AU: Wu, NingYu;Holgate, Tim C.;Ngo Van Nong;Pryds, Nini;Linderoth, Soren;
19:8:37     Thermoelectric Properties of Ca3Co4-x Ga (x) O9+delta Prepared by Thermal Hydro-decomposition
DOI:10.1007/s11664-013-2954-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Prasoetsopha, N.;Pinitsoontorn, S.;Kamwanna, T.;Kurosaki, K.;Ohishi, Y.;Muta, H.;Yamanaka, S.;
19:8:38     Thermoelectric and magnetic properties of Ca3Co4-xCuxO9+delta with x=0.00, 0.05, 0.07, 0.10 and 0.15
DOI:10.1016/j.materresbull.2013.07.004  JN:MATERIALS RESEARCH BULLETIN  PY:2013
  TC:2  AU: Bhaskar, Ankam;Lin, Z. R.;Liu, Chia-Jyi;
19:8:39     Post-calcination, a novel method to synthesize cobalt oxide-based thermoelectric materials
DOI:10.1016/j.actamat.2014.04.008  JN:ACTA MATERIALIA  PY:2014
  TC:2  AU: Kang, Min-Gyu;Cho, Kwang-Hwan;Kim, Jin-Sang;Nahm, Sahn;Yoon, Seok-Jin;Kang, Chong-Yun;
19:8:40     Enhanced thermoelectric properties induced by chemical pressure in Ca3Co4O9
DOI:10.1016/j.ceramint.2013.10.090  JN:CERAMICS INTERNATIONAL  PY:2014
  TC:3  AU: Demirel, S.;Avci, S.;Altin, E.;Altin, S.;Yakinci, M. E.;
19:8:41     Mechanical properties of Ca3Co4O9 bulk oxides intended to be used in thermoelectric generators
DOI:10.1016/j.ceramint.2014.02.112  JN:CERAMICS INTERNATIONAL  PY:2014
  TC:2  AU: Kenfaui, Driss;Gomina, Moussa;Chateigner, Daniel;Noudem, Jacques G.;
19:8:42     High-temperature thermoelectric properties of La and Fe co-doped Ca-Co-O misfit-layered cobaltites consolidated by spark plasma sintering
DOI:10.1016/j.jallcom.2013.11.098  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:11  AU: Butt, Sajid;Liu, Yao-Chun;Lan, Jin-Le;Shehzad, Khurram;Zhan, Bin;Lin, Yuanhua;Nan, Ce-Wen;
19:8:43     Cr6+ ion doping effects, in layered Ca3Co4O9 system
DOI:10.1016/j.jallcom.2014.05.220  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Fu, Yankun;Lin, Shuai;Huang, Yanan;Shi, Renbin;Zhao, Bangchuan;
19:8:44     Strengthening of Thermoelectric Performance via Ir Doping in Layered Ca3Co4O9 System
DOI:10.1111/jace.12676  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2014
  TC:2  AU: Huang, Yanan;Zhao, Bangchuan;Lin, Shuai;Ang, Ran;Song, Wenhai;Sun, Yuping;
19:8:45     Enhanced high temperature thermoelectric properties of Bi-doped c-axis oriented Ca3Co4O9 thin films by pulsed laser deposition
DOI:10.1063/1.3499324  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:19  AU: Sun, T.;Hng, H. H.;Yan, Q. Y.;Ma, J.;
19:8:46     Electrical and Thermal Properties of the Ca3-x Gd (x) Co4O9+delta System
DOI:10.1007/s11664-010-1412-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:18  AU: Tang, G. D.;Tang, C. P.;Xu, X. N.;He, Y.;Qiu, L.;Lv, L. Y.;Wang, Z. H.;Du, Y. W.;
19:8:47     High-temperature electrical transport behaviors of the layered Ca2Co2O5-based ceramics
DOI:10.1063/1.3425891  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:17  AU: Lan, Jinle;Lin, Yuan-Hua;Li, Guo-jing;Xu, Shaoliang;Liu, Yong;Nan, Ce-Wen;Zhao, Shu-Jin;
19:8:48     Improving the spin entropy by suppressing Co4+ concentration in thermoelectric Ca3Co4O9+delta
DOI:10.1016/j.ceramint.2012.07.071  JN:CERAMICS INTERNATIONAL  PY:2013
  TC:4  AU: Tang, Guodong;Xu, Feng;Zhang, Dewei;Wang, Zhihe;
19:8:49     Effect of Ca substitution by Sr on the thermoelectric properties of Ca3Co4O9 ceramics
DOI:10.1016/j.jallcom.2010.10.209  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:21  AU: Delorme, F.;Martin, C. Fernandez;Marudhachalam, P.;Ovono, D. Ovono;Guzman, G.;
19:8:50     Effect of Ag-doping on crystal structure and high temperature thermoelectric properties of c-axis oriented Ca3Co4O9 thin films by pulsed laser deposition
DOI:10.1016/j.jallcom.2011.09.008  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:4  AU: Sun, T.;Hng, H. H.;Yan, Q. Y.;Ma, J.;
19:8:51     High-Temperature Thermoelectric and Microstructural Characteristics of Cobalt-Based Oxides with Ga Substituted on the Co-Site
DOI:10.1007/s11664-011-1524-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:14  AU: Nong, N. V.;Yanagiya, S.;Monica, S.;Pryds, N.;Ohtaki, M.;
19:8:52     Improved Thermoelectric Characteristics of Si-Doped Misfit-Layered Cobaltite
DOI:10.1007/s11664-011-1527-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:18  AU: Liu, Chia-Jyi;Huang, Yu-Chih;Nong, N. V.;Liu, Yen-Liang;Petricek, V.;
19:8:53     Microstructure and Thermoelectric Properties of Screen-Printed Thick Films of Misfit-Layered Cobalt Oxides with Ag Addition
DOI:10.1007/s11664-011-1848-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Ngo Van Nong;Samson, Alfred Junio;Pryds, Nini;Linderoth, Soren;
19:8:54     (001)-oriented Bi2Sr2Co2Oy and Ca3Co4O9 films: Self-assembly orientation and growth mechanism by chemical solution deposition
DOI:10.1016/j.actamat.2010.04.021  JN:ACTA MATERIALIA  PY:2010
  TC:23  AU: Zhu, Xuebin;Shi, Dongqi;Dou, Shixue;Sun, Yuping;Li, Qi;Wang, Lin;Li, Wenxian;Yeoh, Weikong;Zheng, Rongkun;Chen, Zhixin;Kong, Chunxiu;
19:8:55     High-temperature thermoelectric properties of nanostructured Ca3Co4O9 thin films
DOI:10.1063/1.3574530  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:10  AU: Kang, Min-Gyu;Cho, Kwang-Hwan;Oh, Seung-Min;Kim, Jin-Sang;Kang, Chong-Yun;Nahm, Sahn;Yoon, Seok-Jin;
19:8:56     X-ray absorption spectroscopy studies of Ca(2.9)Ln(0.1)Co(4)O(9+delta) (Ln = Ca, Dy, Ho, Er and Lu)
DOI:10.1016/j.jallcom.2012.03.052  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:2  AU: Chen, J. L.;Liu, Y. S.;Liu, Chia-Jyi;Nong, N. V.;Kao, Y. C.;Chen, C. C.;Wang, W. C.;Chen, S. S.;Chen, C. L.;Dong, C. L.;Chang, C. L.;
19:8:57     Suppressed spin-density-wave transition and enhanced electrical conductivity in chlorine doped Ca3Co4O9-xClx ceramics
DOI:10.1016/j.jallcom.2012.12.139  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:4  AU: Dai, Dongqin;Zhao, Bangchuan;Huang, Yanan;Sun, Yuping;Xie, Anjian;Shen, Yuhua;
19:8:58     Renormalized bands and low-temperature colossal thermopower induced by Ir doping in Ca3Co4O9 system
DOI:10.1063/1.4820464  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Huang, Yanan;Zhao, Bangchuan;Lin, Shuai;Song, Wenhai;Sun, Yuping;
19:8:59     Synthesis, characterization, temperature dependent electrical and magnetic properties of Ca3Co4O9 by a starch assisted sol-gel combustion method
DOI:10.1016/j.jmmm.2014.04.016  JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS  PY:2014
  TC:4  AU: Agilandeswari, K.;Kumar, A. Ruban;
19:8:60     Observations of Co4+ in a Higher Spin State and the Increase in the Seebeck Coefficient of Thermoelectric Ca3Co4O9
DOI:10.1103/PhysRevLett.108.196601  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:11  AU: Klie, R. F.;Qiao, Q.;Paulauskas, T.;Gulec, A.;Rebola, A.;Oeguet, S.;Prange, M. P.;Idrobo, J. C.;Pantelides, S. T.;Kolesnik, S.;Dabrowski, B.;Ozdemir, M.;Boyraz, C.;Mazumdar, D.;Gupta, A.;
19:8:61     First-principles study of the atomic and electronic structures of misfit-layered calcium cobaltite (Ca2CoO3)(CoO2)(1.62) using rational approximants
DOI:10.1103/PhysRevB.85.155132  JN:PHYSICAL REVIEW B  PY:2012
  TC:7  AU: Rebola, Alejandro;Klie, Robert;Zapol, Peter;Oeguet, Serdar;
19:8:62     Synthesis and Thermoelectric Properties of Ca3Co4O9 Prepared by a Simple Thermal Hydro-Decomposition Method
DOI:10.1007/s13391-012-1088-0  JN:ELECTRONIC MATERIALS LETTERS  PY:2012
  TC:11  AU: Prasoetsopha, Natkrita;Pinitsoontorn, Supree;Amornkitbamrung, Vittaya;
19:8:63     Giant dielectric behavior observed in Ca3Co4O9 ceramic
DOI:10.1007/s13391-012-2157-0  JN:ELECTRONIC MATERIALS LETTERS  PY:2013
  TC:0  AU: Prasoetsopha, Natkrita;Pinitsoontorn, Supree;Thongbai, Prasit;Yamwong, Teerapon;
19:8:64     Characterization of the interface between an Fe-Cr alloy and the p-type thermoelectric oxide Ca3Co4O9
DOI:10.1016/j.jallcom.2013.08.096  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Holgate, Tim C.;Han, Li;Wu, NingYu;Bojesen, Espen D.;Christensen, Mogens;Iversen, Bo B.;Ngo Van Nong;Pryds, Nini;
19:8:65     Synthesis and investigation of thermoelectric and electrochemical properties of porous Ca9Co12O28 nanowires
DOI:10.1039/c3ta12096a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:9  AU: Yadav, Gautam Ganapati;David, Anand;Favaloro, Tela;Yang, Haoran;Shakouri, Ali;Caruthers, James;Wu, Yue;
19:8:66     Enhancement of thermoelectric performance in Cd-doped Ca3Co4O9 via spin entropy, defect chemistry and phonon scattering
DOI:10.1039/c4ta03891f  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:2  AU: Butt, Sajid;Xu, Wei;He, Wang Q.;Tan, Qing;Ren, Guang K.;Lin, Yuanhua;Nan, Ce-Wen;
19:8:67     Thermoelectric properties and texture evaluation of Ca3Co4O9 prepared by a cost-effective multisheet cofiring technique
DOI:10.1007/s10853-010-5163-3  JN:JOURNAL OF MATERIALS SCIENCE  PY:2011
  TC:10  AU: Kwon, O-Jong;Jo, Wook;Ko, Kyeong-Eun;Kim, Jae-Yeol;Bae, Sung-Hwan;Koo, Hyun;Jeong, Seong-Min;Kim, Jin-Sang;Park, Chan;
19:8:68     Preparation and high temperature thermoelectric properties of Ca3-xAgxCo4O9+delta oxides
DOI:10.1016/j.ssi.2011.07.023  JN:SOLID STATE IONICS  PY:2011
  TC:10  AU: Zhang, F. P.;Zhang, X.;Lu, Q. M.;Zhang, J. X.;Liu, Y. Q.;Zhang, G. Z.;
19:8:69     Effects of Pulsed Laser Deposition Conditions on the Microstructure of Ca3Co4O9 Thin Films
DOI:10.1007/s11664-010-1261-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:9  AU: Sun, Ting;Hng, Huey Hoon;Yan, Qingyu;Ma, Jan;
19:8:70     Microstructures and Thermoelectric Properties of Sintered Ca3Co4O9-Based Oxide
DOI:10.1007/s11664-012-1929-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Morimura, Takao;Hasaka, Masayuki;Kondo, Shin-ichiro;Nakashima, Hiromichi;Maeda, Hisamitsu;
19:8:71     Enhancing the Thermoelectric Properties of Ca3Co4O9 Thin Films by the Addition of a Nanoscale NbNx Second Phase
DOI:10.1007/s11664-014-3285-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Zhu, Chunhui;Li, Zhuangzhi;An, Heping;Tang, Guide;Hou, Denglu;
19:8:72     Electronic structure of the Ca3Co4O9 compound from ab initio local interactions
DOI:10.1103/PhysRevB.85.165145  JN:PHYSICAL REVIEW B  PY:2012
  TC:9  AU: Soret, Julien;Lepetit, Marie-Bernadette;
19:8:73     Effects of conducting oxide barrier layers on the stability of Crofer (R) 22 APU/Ca3Co4O9 interfaces
DOI:10.1557/jmr.2014.320  JN:JOURNAL OF MATERIALS RESEARCH  PY:2014
  TC:0  AU: Holgate, Tim C.;Han, Li;Wu, NingYu;Ngo Van Nong;Pryds, Nini;
19:8:74     Effect of precursors size on the thermoelectric properties of Ca3Co4O9 ceramics
DOI:10.1016/j.materresbull.2012.02.004  JN:MATERIALS RESEARCH BULLETIN  PY:2012
  TC:8  AU: Delorme, F.;Ovono, D. Ovono;Marudhachalam, P.;Martin, C. Fernandez;Fraboulet, O.;
19:8:75     Defects analysis at the nanometric scale in Ca3Co4O9 thin films
DOI:10.1063/1.3292590  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:10  AU: Moubah, R.;Colis, S.;Ulhaq-Bouillet, C.;Dinia, A.;
19:8:76     Suppression of the spin entropy in layered cobalt oxide Ca3Co4O9+delta by Cu doping
DOI:10.1016/j.ceramint.2014.04.076  JN:CERAMICS INTERNATIONAL  PY:2014
  TC:0  AU: Zhang, Dewei;Mi, Xiaona;Wang, Zhihe;Tang, Guodong;Wu, Qisheng;
19:8:77     Enhancing the thermoelectric properties of Ca3Co4O9 thin films by Nb ion injection
DOI:10.1016/j.jallcom.2013.03.069  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:3  AU: Zhu, Chunhui;An, Heping;Ge, Wenwen;Li, Zhuangzhi;Tang, Guide;
19:8:78     High temperature spin state transitions in misfit-layered Ca3Co4O9
DOI:10.1016/j.jallcom.2013.10.170  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Altin, S.;Aksan, M. A.;Bayri, A.;
19:8:79     Growth of nanoparticulate films of Ca3Co4O9 by a microwave plasma-assisted spray process
DOI:10.1557/jmr.2011.191  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:0  AU: Wangensteen, Ted;Merlak, Marek;Dhakal, Tara;Mukherjee, Pritish;Witanachchi, Sarath;Poudel, Bed;Joshi, Giri;
19:8:80     Influence of Y3+ doping on the high-temperature transport mechanism and thermoelectric response of misfit-layered Ca3Co4O9
DOI:10.1007/s00339-010-5543-1  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2010
  TC:9  AU: Wang, Yang;Sui, Yu;Cheng, Jinguang;Wang, Xianjie;Su, Wenhui;Fan, Hongjin;
19:8:81     Enhancement of the spin entropy in NaxCo2O4 by Ni doping
DOI:10.1063/1.3467205  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:8  AU: Tang, Guodong;Yang, Teng;Xu, Xiaonong;Tang, Chipui;Qiu, Li;Zhang, Zhidong;Lv, Liya;Wang, Zhihe;Du, Youwei;
19:8:82     Structure and transport properties in Ca3Co4-xMxO9 (M=Re and Pt) ceramics
DOI:10.1016/j.ceramint.2014.03.030  JN:CERAMICS INTERNATIONAL  PY:2014
  TC:1  AU: Huang, Yanan;Zhao, Bangchuan;Lin, Shuai;Ang, Ran;Sun, Yuping;
19:8:83     Enhancement of thermoelectric power in layered Bi2Sr2Co2-x Ir (x) O (y) single crystals
DOI:10.1007/s10853-014-8166-7  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:0  AU: Huang, Yanan;Zhao, Bangchuan;Lin, Shuai;Yang, Jie;Song, Wenhai;Ang, Ran;Sun, Yuping;
19:8:84     Synthesis and transport properties of Ca3Co4O9/ZnO heterostructure
DOI:10.1016/j.matlet.2014.01.074  JN:MATERIALS LETTERS  PY:2014
  TC:1  AU: Luo, B. C.;Wang, J.;Duan, M. M.;Jin, K. X.;Chen, C. L.;
19:8:85     Fabrication and high temperature thermoelectric properties of c-axis oriented Na0.68CoO:Ag nanocomposite thin films
DOI:10.1016/j.materresbull.2013.10.008  JN:MATERIALS RESEARCH BULLETIN  PY:2014
  TC:0  AU: Wang, Shufang;Wang, Haifeng;Zhang, Hongrui;Fu, Guangsheng;Wang, Jianglong;Zhao, Xiaohui;Yu, Wei;
19:8:86     Kinetics, Stability, and Thermal Contact Resistance of Nickel-Ca3Co4O9 Interfaces Formed by Spark Plasma Sintering
DOI:10.1007/s11664-012-2363-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Holgate, T. C.;Wu, N.;Sondergaard, M.;Iversen, B. B.;Nong, N. V.;Pryds, N.;
19:8:87     Grain-Oriented Ca3Co4O9 Thermoelectric Oxide Ceramics Prepared by Solid-State Reaction
DOI:10.1007/s11664-013-2585-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Obata, Kohei;Chonan, Yasunori;Komiyama, Takao;Aoyama, Takashi;Yamaguchi, Hiroyuki;Sugiyama, Shigeaki;
19:8:88     Preparation of mixed oxides Ca9Co12O28 and their electrochemical properties
DOI:10.1016/j.matlet.2012.05.032  JN:MATERIALS LETTERS  PY:2012
  TC:7  AU: Mei, Tao;Zhang, Jingjing;Wang, Lili;Xing, Zheng;Zhu, Yongchun;Qian, Yitai;
19:8:89     Structure and thermoelectric properties of Ca2-xSrxFeMoO6 (0 <= x <= 0.3) double-perovskite oxides
DOI:10.1016/j.matchemphys.2012.01.032  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2012
  TC:3  AU: Sugahara, Tohru;Ngo Van Nong;Ohtakic, Michitaka;
19:8:90     Synthesis and characterization of Ca3Co4O9 thin films prepared by sol-gel spin-coating technique on Al2O3(001)
DOI:10.1016/j.tsf.2009.12.027  JN:THIN SOLID FILMS  PY:2010
  TC:8  AU: Moubah, R.;Colis, S.;Leuvrey, C.;Schmerber, G.;Drillon, M.;Dinia, A.;
19:8:91     Phonon and thermal transport properties of the misfit-layered oxide thermoelectric Ca3Co4O9 from first principles
DOI:10.1063/1.4885389  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Rebola, Alejandro;Klie, Robert F.;Zapol, Peter;Oeguet, Serdar;
19:8:92     Enhancement of high temperature thermoelectric performance in Bi, Fe co-doped layered oxide-based material Ca3Co4O9+delta
DOI:10.1016/j.jallcom.2014.06.190  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Tian, Ruoming;Zhang, Tianshu;Chu, Dewei;Donelson, Richard;Tao, Li;Li, Sean;
19:8:93     Electrical properties of thermoelectric cobalt Ca3Co4O9 epitaxial heterostructures
DOI:10.1063/1.4795767  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Guo, Haizhong;Wang, Shufang;Wang, Le;Jin, Kui-juan;Chen, Shanshan;Fu, Guangsheng;Ge, Chen;Lu, Huibin;Wang, Can;He, Meng;Yang, Guozhen;
19:8:94     Thermoelectric properties of Ca3Co4O9 and Ca2.8Bi0.2Co4O9 thin films in their island formation mode
DOI:10.1557/jmr.2013.163  JN:JOURNAL OF MATERIALS RESEARCH  PY:2013
  TC:1  AU: Jood, Priyanka;Peleckis, Germanas;Wang, Xiaolin;Dou, Shi Xue;
19:8:95     Enhancement of the spin entropy in NaxCo2O4 by Ni doping (vol 97, 032108, 2010)
DOI:10.1063/1.3557022  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:0  AU: Tang, Guodong;Yang, Teng;Xu, Xiaonong;Tang, Chipui;Qiu, Li;Zhang, Zhidong;Lv, Liya;Wang, Zhihe;Du, Youwei;
19:8:96     Yttria-stabilized zirconia buffered silicon to optimize in-plane electrical conductivity of [Ca2CoO3](0.62)[CoO2] thin films
DOI:10.1063/1.4875275  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Kraus, T.;Griesser, A.;Klein, O.;Fischer, M.;Schreck, M.;Karl, H.;
19:8:97     Electrical conductivity and thermoelectric power studies of solution-combustion-processed Ca2.76Cu0.24Co4O9
DOI:10.1016/j.ceramint.2012.07.081  JN:CERAMICS INTERNATIONAL  PY:2013
  TC:3  AU: Lee, G. W.;Kim, J. Y.;Athar, T.;Kim, S. J.;Seo, W. S.;Park, K.;
19:8:98     High Temperature Transport Property of Copper site Doped La2CuO4
DOI:10.1111/j.1551-2916.2010.04259.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2011
  TC:2  AU: Xu, Wei;Liu, Yong;Chen, Dongliang;Lin, Yuan-Hua;Wu, Zhonghua;Xie, Yaning;Zhang, Bo-Ping;Cheng, Bo;Nan, Ce-Wen;Wu, Ziyu;
19:8:99     Effect of Y-doping on spin entropy in Ca3-xYxCo4O9+delta
DOI:10.1063/1.4793778  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Zhang, D. W.;Wang, Z. H.;Tang, G. D.;Xu, X. B.;Xu, X. N.;Qiu, L.;Zhang, D. X.;Du, Y. W.;
19:8:100     Effects of Pulsed Laser Deposition Conditions on the Microstructure of Ca3Co4O9 Thin Films (vol 39, pg 1611, 2010)
DOI:10.1007/s11664-012-2141-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:0  AU: Sun, Ting;Hng, Huey Hoon;Yan, Qingyu;Ma, Jan;
19:8:101     Effects of Process Variable Control on the Thermoelectric Properties of the Zn0.98Ga(Al)(0.02)O System
DOI:10.1007/s11664-013-2521-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Choi, Soon-Mok;Lee, Kyu Hyoung;Jung, Kwang-Hee;Lim, Young Soo;Seo, Won-Seon;
19:8:102     Microstructures and Thermoelectric Properties of Sintered Misfit-Layered Cobalt Oxide
DOI:10.1007/s11664-013-2805-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Morimura, Takao;Yamaguchi, Takahiro;Kojima, Takuya;Matsuya, Noriki;Kondo, Shin-Ichiro;Nakashima, Hiromichi;
19:8:103     Thermoelectric Properties of Ca3Co4O9/[Ca-2(Co0.65Cu0.35)(2)O-4](0.624)CoO2 Composites
DOI:10.1007/s11664-014-3109-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Obata, Kohei;Chonan, Yasunori;Komiyama, Takao;Abe, Kazunori;Aoyama, Takashi;Yamaguchi, Hiroyuki;Sugiyama, Shigeaki;
19:8:104     Growth and structure characterization of epitaxial Bi2Sr2Co2Oy thermoelectric thin films on LaAlO3 (001)
DOI:10.1016/j.tsf.2010.06.060  JN:THIN SOLID FILMS  PY:2010
  TC:4  AU: Wang, Shufang;He, Liping;Elhadj, Dogheche;Chen, Jingchun;Wang, Jianglong;Chen, Mingjing;Yu, Wei;Fu, Guangsheng;
19:8:105     Growth and thermoelectric properties of Ca3Co4O9 thin films with c-axis parallel to Si substrate surface
DOI:10.1016/j.tsf.2013.08.045  JN:THIN SOLID FILMS  PY:2013
  TC:1  AU: An, H. P.;Zhu, C. H.;Ge, W. W.;Li, Z. Z.;Tang, G. D.;
19:9:1     Effects of surface roughness and oxide layer on the thermal boundary conductance at aluminum/silicon interfaces
DOI:10.1103/PhysRevB.82.085307  JN:PHYSICAL REVIEW B  PY:2010
  TC:41  AU: Hopkins, Patrick E.;Phinney, Leslie M.;Serrano, Justin R.;Beechem, Thomas E.;
19:9:2     Systematically controlling Kapitza conductance via chemical etching
DOI:10.1063/1.3695058  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:15  AU: Duda, John C.;Hopkins, Patrick E.;
19:9:3     Relationship of thermal boundary conductance to structure from an analytical model plus molecular dynamics simulations
DOI:10.1103/PhysRevB.87.094303  JN:PHYSICAL REVIEW B  PY:2013
  TC:9  AU: Zhou, Xiao Wang;Jones, Reese E.;Kimmer, Christopher James;Duda, John C.;Hopkins, Patrick E.;
19:9:4     Enhancing and tuning phonon transport at vibrationally mismatched solid-solid interfaces
DOI:10.1103/PhysRevB.85.035438  JN:PHYSICAL REVIEW B  PY:2012
  TC:24  AU: English, Timothy S.;Duda, John C.;Smoyer, Justin L.;Jordan, Donald A.;Norris, Pamela M.;Zhigilei, Leonid V.;
19:9:5     Ion irradiation of the native oxide/silicon surface increases the thermal boundary conductance across aluminum/silicon interfaces
DOI:10.1103/PhysRevB.90.024301  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Gorham, Caroline S.;Hattar, Khalid;Cheaito, Ramez;Duda, John C.;Gaskins, John T.;Beechem, Thomas E.;Ihlefeld, Jon F.;Biedermann, Laura B.;Piekos, Edward S.;Medlin, Douglas L.;Hopkins, Patrick E.;
19:9:6     Influence of interfacial properties on thermal transport at gold:silicon contacts
DOI:10.1063/1.4793431  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:8  AU: Duda, J. C.;Yang, C. -Y. P.;Foley, B. M.;Cheaito, R.;Medlin, D. L.;Jones, R. E.;Hopkins, P. E.;
19:9:7     Effect of dislocation density on thermal boundary conductance across GaSb/GaAs interfaces
DOI:10.1063/1.3581041  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:23  AU: Hopkins, Patrick E.;Duda, John C.;Clark, Stephen P.;Hains, Christopher P.;Rotter, Thomas J.;Phinney, Leslie M.;Balakrishnan, Ganesh;
19:9:8     Influence of crystallographic orientation and anisotropy on Kapitza conductance via classical molecular dynamics simulations
DOI:10.1063/1.4764921  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:7  AU: Duda, J. C.;Kimmer, C. J.;Soffa, W. A.;Zhou, X. W.;Jones, R. E.;Hopkins, P. E.;
19:9:9     Role of dispersion on phononic thermal boundary conductance
DOI:10.1063/1.3483943  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:33  AU: Duda, John C.;Beechem, Thomas E.;Smoyer, Justin L.;Norris, Pamela M.;Hopkins, Patrick E.;
19:9:10     Bidirectionally tuning Kapitza conductance through the inclusion of substitutional impurities
DOI:10.1063/1.4757941  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:6  AU: Duda, John C.;English, Timothy S.;Piekos, Edward S.;Beechem, Thomas E.;Kenny, Thomas W.;Hopkins, Patrick E.;
19:9:11     Controlling thermal conductance through quantum dot roughening at interfaces
DOI:10.1103/PhysRevB.84.035438  JN:PHYSICAL REVIEW B  PY:2011
  TC:21  AU: Hopkins, Patrick E.;Duda, John C.;Petz, Christopher W.;Floro, Jerrold A.;
19:9:12     Effect of interface adhesion and impurity mass on phonon transport at atomic junctions
DOI:10.1063/1.4773331  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:9  AU: Saltonstall, Christopher B.;Polanco, Carlos A.;Duda, John C.;Ghosh, Avik W.;Norris, Pamela M.;Hopkins, Patrick E.;
19:9:13     Thermal interface conductance in Si/Ge superlattices by equilibrium molecular dynamics
DOI:10.1103/PhysRevB.85.195302  JN:PHYSICAL REVIEW B  PY:2012
  TC:21  AU: Chalopin, Y.;Esfarjani, K.;Henry, A.;Volz, S.;Chen, G.;
19:9:14     Investigation of size and electronic effects on Kapitza conductance with non-equilibrium molecular dynamics
DOI:10.1063/1.4804677  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:7  AU: Jones, R. E.;Duda, J. C.;Zhou, X. W.;Kimmer, C. J.;Hopkins, P. E.;
19:9:15     Qualitative link between work of adhesion and thermal conductance of metal/diamond interfaces
DOI:10.1063/1.4869668  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:4  AU: Monachon, Christian;Schusteritsch, Georg;Kaxiras, Efthimios;Weber, Ludger;
19:9:16     Influence of anisotropy on thermal boundary conductance at solid interfaces
DOI:10.1103/PhysRevB.84.125408  JN:PHYSICAL REVIEW B  PY:2011
  TC:11  AU: Hopkins, Patrick E.;Beechem, Thomas;Duda, John C.;Hattar, Khalid;Ihlefeld, Jon F.;Rodriguez, Mark A.;Piekos, Edward S.;
19:9:17     Phonon interference at self-assembled monolayer interfaces: Molecular dynamics simulations
DOI:10.1103/PhysRevB.81.235427  JN:PHYSICAL REVIEW B  PY:2010
  TC:18  AU: Hu, Lin;Zhang, Lifa;Hu, Ming;Wang, Jian-Sheng;Li, Baowen;Keblinski, Pawel;
19:9:18     Pressure tuning of the thermal conductance of weak interfaces
DOI:10.1103/PhysRevB.84.184107  JN:PHYSICAL REVIEW B  PY:2011
  TC:16  AU: Hsieh, Wen-Pin;Lyons, Austin S.;Pop, Eric;Keblinski, Pawel;Cahill, David G.;
19:9:19     Effects of surface chemistry on thermal conductance at aluminum-diamond interfaces
DOI:10.1063/1.3480413  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:19  AU: Collins, Kimberlee C.;Chen, Shuo;Chen, Gang;
19:9:20     Roles of atomic restructuring in interfacial phonon transport
DOI:10.1103/PhysRevB.82.081302  JN:PHYSICAL REVIEW B  PY:2010
  TC:26  AU: Shin, Seungha;Kaviany, Massoud;Desai, Tapan;Bonner, Richard;
19:9:21     Implications of cross-species interactions on the temperature dependence of Kapitza conductance
DOI:10.1103/PhysRevB.84.193301  JN:PHYSICAL REVIEW B  PY:2011
  TC:14  AU: Duda, John C.;English, Timothy S.;Piekos, Edward S.;Soffa, William A.;Zhigilei, Leonid V.;Hopkins, Patrick E.;
19:9:22     Interfacial thermal transport in atomic junctions
DOI:10.1103/PhysRevB.83.064303  JN:PHYSICAL REVIEW B  PY:2011
  TC:25  AU: Zhang, Lifa;Keblinski, Pawel;Wang, Jian-Sheng;Li, Baowen;
19:9:23     Ballistic vs. diffusive heat transfer across nanoscopic films of layered crystals
DOI:10.1063/1.4870940  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Shen, Meng;Keblinski, Pawel;
19:9:24     Finite-size effects on molecular dynamics interfacial thermal-resistance predictions
DOI:10.1103/PhysRevB.90.075411  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Liang, Zhi;Keblinski, Pawel;
19:9:25     Influence of diamond surface termination on thermal boundary conductance between Al and diamond
DOI:10.1063/1.4804061  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:6  AU: Monachon, Christian;Weber, Ludger;
19:9:26     Bonding and pressure-tunable interfacial thermal conductance
DOI:10.1103/PhysRevB.84.195432  JN:PHYSICAL REVIEW B  PY:2011
  TC:18  AU: Shen, Meng;Evans, William J.;Cahill, David;Keblinski, Pawel;
19:9:27     Thermal boundary conductance across rough interfaces probed by molecular dynamics
DOI:10.1103/PhysRevB.89.054309  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Merabia, Samy;Termentzidis, Konstantinos;
19:9:28     Thermal conductance at the interface between crystals using equilibrium and nonequilibrium molecular dynamics
DOI:10.1103/PhysRevB.86.094303  JN:PHYSICAL REVIEW B  PY:2012
  TC:13  AU: Merabia, Samy;Termentzidis, Konstantinos;
19:9:29     Thermoreflectance of metal transducers for time-domain thermoreflectance
DOI:10.1063/1.3457151  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:20  AU: Wang, Yuxin;Park, Ji Yong;Koh, Yee Kan;Cahill, David G.;
19:9:30     Orientation dependence of electron and phonon thermal conduction and its correlation with mechanical strength in aluminum interfaces
DOI:10.1063/1.4815954  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Samvedi, Vikas;Tomar, Vikas;
19:9:31     Vibrational Mismatch of Metal Leads Controls Thermal Conductance of Self-Assembled Monolayer Junctions
DOI:10.1021/nl504844d  JN:NANO LETTERS  PY:2015
  TC:0  AU: Majumdar, Shubhaditya;Sierra-Suarez, Jonatan A.;Schiffres, Scott N.;Ong, Wee-Liat;Higgs, C. Fred, III;McGaughey, Alan J. H.;Malen, Jonathan A.;
19:9:32     Enhancing phonon transmission across a Si/Ge interface by atomic roughness: First-principles study with the Green's function method
DOI:10.1103/PhysRevB.86.235304  JN:PHYSICAL REVIEW B  PY:2012
  TC:3  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD)  in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum  coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;
19:9:33     Thermal boundary conductance between refractory metal carbides and diamond
DOI:10.1016/j.actamat.2014.04.024  JN:ACTA MATERIALIA  PY:2014
  TC:3  AU: Monachon, Christian;Weber, Ludger;
19:9:34     Reduction in thermal boundary conductance due to proton implantation in silicon and sapphire
DOI:10.1063/1.3592822  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:8  AU: Hopkins, Patrick E.;Hattar, Khalid;Beechem, Thomas;Ihlefeld, Jon F.;Medlin, Douglas L.;Piekos, Edward S.;
19:9:35     Large effects of pressure induced inelastic channels on interface thermal conductance
DOI:10.1063/1.4766266  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:8  AU: Chalopin, Yann;Mingo, Natalio;Diao, Jiankuai;Srivastava, Deepak;Volz, Sebastian;
19:9:36     Role of wetting and nanoscale roughness on thermal conductance at liquid-solid interface
DOI:10.1063/1.3626850  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:13  AU: Wang, Y.;Keblinski, P.;
19:9:37     The influence of interface bonding on thermal transport through solid-liquid interfaces
DOI:10.1063/1.4812749  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:6  AU: Harikrishna, Hari;Ducker, William A.;Huxtable, Scott T.;
19:9:38     Effect of microstructure on Au/sapphire interfacial thermal resistance
DOI:10.1063/1.3514563  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:11  AU: Xu, Yibin;Kato, Ryozo;Goto, Masahiro;
19:9:39     Enhancing phonon flow through one-dimensional interfaces by impedance matching
DOI:10.1063/1.4893789  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Polanco, Carlos A.;Ghosh, Avik W.;
19:9:40     Contribution of optical phonons to thermal boundary conductance
DOI:10.1063/1.3478844  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:12  AU: Beechem, Thomas;Duda, John C.;Hopkins, Patrick E.;Norris, Pamela M.;
19:9:41     Effect of Crystallinity on Thermal Transport in Textured Lead Zirconate Titanate Thin Films
DOI:10.1021/am500482r  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:1  AU: Varghese, Ronnie;Harikrishna, Hari;Huxtable, Scott T.;Reynolds, W. T., Jr.;Priya, Shashank;
19:9:42     Effect of chain conformation in the phonon transport across a Si-polyethylene single-molecule covalent junction
DOI:10.1063/1.3592296  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:11  AU: Sasikumar, Kiran;Keblinski, Pawel;
19:9:43     A microscopic formulation of the phonon transmission at the nanoscale
DOI:10.1063/1.4816738  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:6  AU: Chalopin, Y.;Volz, S.;
19:9:44     Spectral analysis of thermal boundary conductance across solid/classical liquid interfaces: A molecular dynamics study
DOI:10.1063/1.4891332  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Giri, Ashutosh;Hopkins, Patrick E.;
19:9:45     Length-Dependent Thermal Transport along Molecular Chains
DOI:10.1103/PhysRevLett.113.060801  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:0  AU: Meier, T.;Menges, F.;Nirmalraj, P.;Hoelscher, H.;Riel, H.;Gotsmann, B.;
19:9:46     Effects of chemical bonding on heat transport across interfaces
DOI:10.1038/NMAT3303  JN:NATURE MATERIALS  PY:2012
  TC:105  AU: Losego, Mark D.;Grady, Martha E.;Sottos, Nancy R.;Cahill, David G.;Braun, Paul V.;
19:9:47     Tunable superlattice in-plane thermal conductivity based on asperity sharpness at interfaces: Beyond Ziman's model of specularity
DOI:10.1063/1.3665408  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:4  AU: Rajabpour, Ali;Allaei, S. M. Vaez;Chalopin, Yann;Kowsary, Farshad;Volz, Sebastian;
19:9:48     Thermal conductance at atomically clean and disordered silicon/aluminum interfaces: A molecular dynamics simulation study
DOI:10.1063/1.4748872  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Choi, Woon Ih;Kim, Kwiseon;Narumanchi, Sreekant;
19:9:49     Time-resolved X-ray diffraction studies of laser-induced acoustic wave propagation in bilayer metallic thin crystals
DOI:10.1063/1.4894177  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Er, Ali Oguz;Tang, Jau;Chen, Jie;Rentzepis, Peter M.;
19:9:50     Thermal Transport across a Substrate-Thin-Film Interface: Effects of Film Thickness and Surface Roughness
DOI:10.1103/PhysRevLett.113.065901  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:2  AU: Liang, Zhi;Sasikumar, Kiran;Keblinski, Pawel;
19:9:51     Influence of sample processing parameters on thermal boundary conductance value in an Al/AlN system
DOI:10.1063/1.3560469  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:4  AU: Monachon, Christian;Hojeij, Mohamad;Weber, Ludger;
19:9:52     Molecular dynamics study of thermal transport in GaAs-self-assembly monolayer-GaAs junctions with ab initio characterization of thiol-GaAs bonds
DOI:10.1063/1.3530685  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:11  AU: Luo, Tengfei;Lloyd, John R.;
19:9:53     Reduction in thermal boundary conductance due to proton implantation in silicon and sapphire (vol 98, 231901, 2011)
DOI:10.1063/1.4750247  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:2  AU: Hopkins, Patrick E.;Hattar, Khalid;Beechem, Thomas;Ihlefeld, Jon F.;Medlin, Douglas L.;Piekos, Edward S.;
19:9:54     Interfacial thermal conductance and thermal accommodation coefficient of evaporating thin liquid films: A molecular dynamics study
DOI:10.1016/j.commatsci.2014.02.034  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2014
  TC:2  AU: Peng, Bei;He, Weiguo;Hao, Xiaohong;Chen, Yi;Liu, Yaling;
19:9:55     Modified embedded-atom method interatomic potential and interfacial thermal conductance of Si-Cu systems: A molecular dynamics study
DOI:10.1063/1.4773455  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: da Cruz, Carolina Abs;Chantrenne, Patrice;Veiga, Roberto Gomes de Aguiar;Perez, Michel;Kleber, Xavier;
19:9:56     Growth and thermal conductivity analysis of polycrystalline GaAs on chemical vapor deposition diamond for use in thermal management of high-power semiconductor lasers
DOI:10.1116/1.3565054  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2011
  TC:1  AU: Clark, S. P. R.;Ahirwar, P.;Jaeckel, F. T.;Hains, C. P.;Albrecht, A. R.;Rotter, T. J.;Dawson, L. R.;Balakrishnan, G.;Hopkins, P. E.;Phinney, L. M.;Hader, J.;Moloney, J. V.;
19:9:57     Impact of surface roughness temperature dependency on the thermal contact resistance between Si(111) and liquid He-4
DOI:10.1103/PhysRevB.81.054303  JN:PHYSICAL REVIEW B  PY:2010
  TC:7  AU: Amrit, J.;
19:9:58     Mode conversion and long-lived vibrational modes in lead monolayers on silicon (111) after femtosecond laser excitation: A molecular dynamics simulation
DOI:10.1103/PhysRevB.88.115419  JN:PHYSICAL REVIEW B  PY:2013
  TC:0  AU: Sakong, Sung;Kratzer, Peter;Wall, Simone;Kalus, Annika;Horn-von Hoegen, Michael;
19:9:59     Role of mechanical strain on thermal conductivity of nanoscale aluminum films
DOI:10.1016/j.actamat.2010.08.024  JN:ACTA MATERIALIA  PY:2010
  TC:6  AU: Lee, H. -F.;Kumar, S.;Haque, M. A.;
19:9:60     Ellipsometric characterization of multi-component thin films: Determination of elemental content from optical dispersion
DOI:10.1016/j.tsf.2013.10.174  JN:THIN SOLID FILMS  PY:2014
  TC:2  AU: Varghese, Ronnie;Pribil, Greg;Reynolds, W. T., Jr.;Priya, Shashank;
19:10:1     Enhanced Thermoelectric Figure of Merit of p-Type Half-Heuslers
DOI:10.1021/nl104138t  JN:NANO LETTERS  PY:2011
  TC:96  AU: Yan, Xiao;Joshi, Giri;Liu, Weishu;Lan, Yucheng;Wang, Hui;Lee, Sangyeop;Simonson, J. W.;Poon, S. J.;Tritt, T. M.;Chen, Gang;Ren, Z. F.;
19:10:2     Enhancement in Thermoelectric Figure-Of-Merit of an N-Type Half-Heusler Compound by the Nanocomposite Approach
DOI:10.1002/aenm.201100126  JN:ADVANCED ENERGY MATERIALS  PY:2011
  TC:59  AU: Joshi, Giri;Yan, Xiao;Wang, Hengzhi;Liu, Weishu;Chen, Gang;Ren, Zhifeng;
19:10:3     Simultaneous Large Enhancements in Thermopower and Electrical Conductivity of Bulk Nanostructured Half-Heusler Alloys
DOI:10.1021/ja206491j  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2011
  TC:39  AU: Makongo, Julien P. A.;Misra, Dinesh K.;Zhou, Xiaoyuan;Pant, Aditya;Shabetai, Michael R.;Su, Xianli;Uher, Ctirad;Stokes, Kevin L.;Poudeu, Pierre F. P.;
19:10:4     Beneficial Contribution of Alloy Disorder to Electron and Phonon Transport in Half-Heusler Thermoelectric Materials
DOI:10.1002/adfm.201300663  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2013
  TC:32  AU: Xie, Hanhui;Wang, Heng;Pei, Yanzhong;Fu, Chenguang;Liu, Xiaohua;Snyder, G. Jeffrey;Zhao, Xinbing;Zhu, Tiejun;
19:10:5     High performance Bi2Te3 nanocomposites prepared by single-element-melt-spinning spark-plasma sintering
DOI:10.1007/s10853-012-6895-z  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:11  AU: Xie, Wenjie;Wang, Shanyu;Zhu, Song;He, Jian;Tang, Xinfeng;Zhang, Qingjie;Tritt, Terry M.;
19:10:6     Half-Heusler phases and nanocomposites as emerging high-ZT thermoelectric materials
DOI:10.1557/jmr.2011.329  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:37  AU: Poon, S. Joseph;Wu, Di;Zhu, Song;Xie, Wenjie;Tritt, Terry M.;Thomas, Peter;Venkatasubramanian, Rama;
19:10:7     Improving the thermoelectric performance of TiNiSn half-Heusler via incorporating submicron lamellae eutectic phase of Ti70.5Fe29.5: a new strategy for enhancing the power factor and reducing the thermal conductivity
DOI:10.1039/c4ta04661g  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:6  AU: Bhardwaj, A.;Misra, D. K.;
19:10:8     Simultaneously optimizing the independent thermoelectric properties in (Ti,Zr,Hf)(Co,Ni)Sb alloy by in situ forming InSb nanoinclusions
DOI:10.1016/j.actamat.2010.05.005  JN:ACTA MATERIALIA  PY:2010
  TC:35  AU: Xie, W. J.;He, J.;Zhu, S.;Su, X. L.;Wang, S. Y.;Holgate, T.;Graff, J. W.;Ponnambalam, V.;Poon, S. J.;Tang, X. F.;Zhang, Q. J.;Tritt, T. M.;
19:10:9     Electron and phonon transport in Co-doped FeV0.6Nb0.4Sb half-Heusler thermoelectric materials
DOI:10.1063/1.4823859  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:4  AU: Fu, Chenguang;Liu, Yintu;Xie, Hanhui;Liu, Xiaohua;Zhao, Xinbing;Snyder, G. Jeffrey;Xie, Jian;Zhu, Tiejun;
19:10:10     Large Enhancements of Thermopower and Carrier Mobility in Quantum Dot Engineered Bulk Semiconductors
DOI:10.1021/ja311059m  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2013
  TC:11  AU: Liu, Yuanfeng;Sahoo, Pranati;Makongo, Julien P. A.;Zhou, Xiaoyuan;Kim, Sung-Joo;Chi, Hang;Uher, Ctirad;Pan, Xiaoqing;Poudeu, Pierre F. P.;
19:10:11     Effects of yttrium doping on the thermoelectric properties of Hf(0.6)Zr(0.4)NiSn(0.98)Sb(0.02) half-Heusler alloys
DOI:10.1063/1.3475719  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:21  AU: Zhu, T. J.;Xiao, K.;Yu, C.;Shen, J. J.;Yang, S. H.;Zhou, A. J.;Zhao, X. B.;He, J.;
19:10:12     High figure of merit in (Ti,Zr,Hf)NiSn half-Heusler alloys
DOI:10.1016/j.scriptamat.2012.03.002  JN:SCRIPTA MATERIALIA  PY:2012
  TC:29  AU: Populoh, S.;Aguirre, M. H.;Brunko, O. C.;Galazka, K.;Lu, Y.;Weidenkaff, A.;
19:10:13     Electronic structure and thermoelectric properties of half-Heusler Zr0.5Hf0.5NiSn by first-principles calculations
DOI:10.1063/1.4804939  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Zou, D. F.;Xie, S. H.;Liu, Y. Y.;Lin, J. G.;Li, J. Y.;
19:10:14     Reduced Grain Size and Improved Thermoelectric Properties of Melt Spun (Hf,Zr)NiSn Half-Heusler Alloys
DOI:10.1007/s11664-009-1032-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:20  AU: Yu, Cui;Zhu, Tie-Jun;Xiao, Kai;Shen, Jun-Jie;Yang, Sheng-Hui;Zhao, Xin-Bing;
19:10:15     Microstructure evolution of nanoprecipitates in half-Heusler TiNiSn alloys
DOI:10.1016/j.actamat.2013.07.030  JN:ACTA MATERIALIA  PY:2013
  TC:8  AU: Chai, Yaw Wang;Kimura, Yoshisato;
19:10:16     Effect of Hf Concentration on Thermoelectric Properties of Nanostructured N-Type Half-Heusler Materials HfxZr1-xNiSn0.99Sb0.01
DOI:10.1002/aenm.201300336  JN:ADVANCED ENERGY MATERIALS  PY:2013
  TC:19  AU: Chen, Shuo;Lukas, Kevin C.;Liu, Weishu;Opeil, Cyril P.;Chen, Gang;Ren, Zhifeng;
19:10:17     High Band Degeneracy Contributes to High Thermoelectric Performance in p-Type Half-Heusler Compounds
DOI:10.1002/aenm.201400600  JN:ADVANCED ENERGY MATERIALS  PY:2014
  TC:5  AU: Fu, Chenguang;Zhu, Tiejun;Pei, Yanzhong;Xie, Hanhui;Wang, Heng;Snyder, G. Jeffrey;Liu, Yong;Liu, Yintu;Zhao, Xinbing;
19:10:18     Increased electrical conductivity in fine-grained (Zr,Hf)NiSn based thermoelectric materials with nanoscale precipitates
DOI:10.1063/1.4730436  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:9  AU: Xie, Han-Hui;Yu, Cui;Zhu, Tie-Jun;Fu, Chen-Guang;Snyder, G. Jeffrey;Zhao, Xin-Bing;
19:10:19     Enhanced thermoelectric properties of bulk TiNiSn via formation of a TiNi2Sn second phase
DOI:10.1063/1.4765358  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:10  AU: Douglas, Jason E.;Birkel, Christina S.;Miao, Mao-Sheng;Torbet, Chris J.;Stucky, Galen D.;Pollock, Tresa M.;Seshadri, Ram;
19:10:20     Thermoelectric performance of multiphase XNiSn (X = Ti, Zr, Hf) half-Heusler alloys
DOI:10.1039/c3ta13955g  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:13  AU: Downie, R. A.;MacLaren, D. A.;Bos, J. -W. G.;
19:10:21     Thermoelectric Property Study of Nanostructured p-Type Half-Heuslers (Hf, Zr, Ti)CoSb0.8Sn0.2
DOI:10.1002/aenm.201200973  JN:ADVANCED ENERGY MATERIALS  PY:2013
  TC:14  AU: Yan, Xiao;Liu, Weishu;Chen, Shuo;Wang, Hui;Zhang, Qian;Chen, Gang;Ren, Zhifeng;
19:10:22     Effect of antisite defects on band structure and thermoelectric performance of ZrNiSn half-Heusler alloys
DOI:10.1063/1.3396981  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:23  AU: Qiu, Pengfei;Yang, Jiong;Huang, Xiangyang;Chen, Xihong;Chen, Lidong;
19:10:23     Nanosized precipitates in half-Heusler TiNiSn alloy
DOI:10.1063/1.3679377  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:19  AU: Chai, Yaw Wang;Kimura, Yoshisato;
19:10:24     Improved thermoelectric performance of (Zr0.3Hf0.7)NiSn half-Heusler compounds by Ta substitution
DOI:10.1063/1.4874798  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Galazka, Krzysztof;Populoh, Sascha;Xie, Wenjie;Yoon, Songhak;Saucke, Gesine;Hulliger, Juerg;Weidenkaff, Anke;
19:10:25     Phase stability and property evolution of biphasic Ti-Ni-Sn alloys for use in thermoelectric applications
DOI:10.1063/1.4862955  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:4  AU: Douglas, Jason E.;Birkel, Christina S.;Verma, Nisha;Miller, Victoria M.;Miao, Mao-Sheng;Stucky, Galen D.;Pollock, Tresa M.;Seshadri, Ram;
19:10:26     Enhanced thermoelectric performance of a new half-Heusler derivative Zr9Ni7Sn8 bulk nanocomposite: enhanced electrical conductivity and low thermal conductivity
DOI:10.1039/c4ta01380h  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:8  AU: Misra, D. K.;Bhardwaj, A.;Singh, Sanjay;
19:10:27     Thermal expansion and melting temperature of the half-Heusler compounds: MNiSn (M = Ti, Zr, Hf)
DOI:10.1016/j.jallcom.2009.09.139  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:15  AU: Jung, Do-young;Kurosaki, Ken;Kim, Chang-eun;Muta, Hiroaki;Yamanaka, Shinsuke;
19:10:28     Nanoscale structural heterogeneity in Ni-rich half-Heusler TiNiSn
DOI:10.1063/1.4900497  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Douglas, Jason E.;Chater, Philip A.;Brown, Craig M.;Pollock, Tresa M.;Seshadri, Ram;
19:10:29     Nanometer-scale interface engineering boosts the thermoelectric performance of n-type Ti0.4Hf0.6Ni1+zSn0.975Sb0.025 alloys
DOI:10.1039/c4ta00896k  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:3  AU: Sahoo, Pranati;Liu, Yuanfeng;Poudeu, Pierre F. P.;
19:10:30     Introduction of resonant states and enhancement of thermoelectric properties in half-Heusler alloys
DOI:10.1103/PhysRevB.83.235211  JN:PHYSICAL REVIEW B  PY:2011
  TC:11  AU: Simonson, J. W.;Wu, D.;Xie, W. J.;Tritt, T. M.;Poon, S. J.;
19:10:31     Vacancy site occupation by Co and Ir in half-Heusler ZrNiSn and conversion of the thermoelectric properties from n-type to p-type
DOI:10.1016/j.actamat.2010.04.028  JN:ACTA MATERIALIA  PY:2010
  TC:19  AU: Kimura, Yoshisato;Tanoguchi, Toshiyasu;Kita, Takuji;
19:10:32     Implications of nanostructuring on the thermoelectric properties in half-Heusler alloys
DOI:10.1063/1.4754570  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:9  AU: Bhardwaj, A.;Misra, D. K.;Pulikkotil, J. J.;Auluck, S.;Dhar, A.;Budhani, R. C.;
19:10:33     Effects of phase separation on the thermoelectric properties of (Ti, Zr, Hf)NiSn half-Heusler alloys
DOI:10.1063/1.4890610  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Geng, Huiyuan;Zhang, Hao;
19:10:34     Enhancement of thermoelectric figure-of-merit at low temperatures by titanium substitution for hafnium in n-type half-Heuslers Hf0.75-xTixZr0.25NiSn0.99Sb0.01
DOI:10.1016/j.nanoen.2012.07.020  JN:NANO ENERGY  PY:2013
  TC:27  AU: Joshi, Giri;Dahal, Tulashi;Chen, Shuo;Wang, Hengzhi;Shiomi, Junichiro;Chen, Gang;Ren, Zhifeng;
19:10:35     High thermoelectric performance of MgAgSb-based materials
DOI:10.1016/j.nanoen.2014.04.012  JN:NANO ENERGY  PY:2014
  TC:15  AU: Zhao, Huaizhou;Sui, Jiehe;Tang, Zhongjia;Lan, Yucheng;Jie, Qing;Kraemer, Daniel;McEnaney, Kenneth;Guloy, Arnold;Chen, Gang;Ren, Zhifeng;
19:10:36     Intrinsic point defects in thermoelectric half-Heusler alloys
DOI:10.1016/j.scriptamat.2014.03.025  JN:SCRIPTA MATERIALIA  PY:2014
  TC:4  AU: Chai, Yaw Wang;Yoshioka, Kentaro;Kimura, Yoshisato;
19:10:37     Significant ZT enhancement in p-type Ti(Co,Fe)Sb-InSb nanocomposites via a synergistic high-mobility electron injection, energy-filtering and boundary-scattering approach
DOI:10.1016/j.actamat.2012.12.028  JN:ACTA MATERIALIA  PY:2013
  TC:11  AU: Xie, W. J.;Yan, Y. G.;Zhu, S.;Zhou, M.;Populoh, S.;Galazka, K.;Poon, S. J.;Weidenkaff, A.;He, J.;Tang, X. F.;Tritt, T. M.;
19:10:38     Lattice thermal conductivity of nanograined half-Heusler solid solutions
DOI:10.1063/1.4879248  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:2  AU: Geng, Huiyuan;Meng, Xianfu;Zhang, Hao;Zhang, Jian;
19:10:39     Thermoelectric Properties and n- to p- Type Conversion of Co-Doped ZrNiSn-Based Half-Heusler Alloys
DOI:10.1007/s11664-012-2077-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Xie, Han-Hui;Yu, Cui;He, Bin;Zhu, Tie-Jun;Zhao, Xin-Bing;
19:10:40     A Comparison Between the Effects of Sb and Bi Doping on the Thermoelectric Properties of the Ti0.3Zr0.35Hf0.35NiSn Half-Heusler Alloy
DOI:10.1007/s11664-013-2930-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Appel, O.;Gelbstein, Y.;
19:10:41     Optimization of the carrier concentration in phase-separated half-Heusler compounds
DOI:10.1039/c4ta03000a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:7  AU: Krez, Julia;Schmitt, Jennifer;Snyder, G. Jeffrey;Felser, Claudia;Hermes, Wilfried;Schwind, Markus;
19:10:42     High performance half-Heusler thermoelectric materials with refined grains and nanoscale precipitates
DOI:10.1557/jmr.2012.171  JN:JOURNAL OF MATERIALS RESEARCH  PY:2012
  TC:10  AU: Yu, Cui;Xie, Hanhui;Fu, Chenguang;Zhu, Tiejun;Zhao, Xinbing;
19:10:43     Reduced thermal conductivity in nanolamellar composite comprising half-Heusler and NiAs-type phases
DOI:10.1016/j.scriptamat.2013.07.006  JN:SCRIPTA MATERIALIA  PY:2013
  TC:0  AU: Xiong, Ding-Bang;Okamoto, Norihiko L.;Inui, Haruyuki;
19:10:44     Vacancy induced half-metallicity in half-Heusler semiconductors
DOI:10.1103/PhysRevB.84.113201  JN:PHYSICAL REVIEW B  PY:2011
  TC:3  AU: Zhu, Zhiyong;Cheng, Yingchun;Schwingenschloegl, Udo;
19:10:45     Rapid Microwave Preparation of Thermoelectric TiNiSn and TiCoSb Half-Heusler Compounds
DOI:10.1021/cm3011343  JN:CHEMISTRY OF MATERIALS  PY:2012
  TC:23  AU: Birkel, Christina S.;Zeier, Wolfgang G.;Douglas, Jason E.;Lettiere, Bethany R.;Mills, Carolyn E.;Seward, Gareth;Birkel, Alexander;Snedaker, Matthew L.;Zhang, Yichi;Snyder, G. Jeffrey;Pollock, Tresa M.;Seshadri, Ram;Stucky, Galen D.;
19:10:46     High-temperature thermoelectric properties of Ti-0.5(ZrHf)(0.5-x)NbxNi0.9Pd0.1Sn0.98Sb0.02 half-Heusler alloys
DOI:10.1016/j.jallcom.2010.05.086  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:9  AU: Lee, Ping-Jen;Chao, Long-Sun;
19:10:47     Effect of the Zr0.5Hf0.5CoSb1-xSnx/HfO2 half-Heusler nanocomposites on the ZT value
DOI:10.1016/j.jallcom.2014.01.208  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:6  AU: Hsu, Chia-Cheng;Liu, Yion-Ni;Ma, Hsiao-Kang;
19:10:48     Improvement of thermoelectric properties for half-Heusler TiNiSn by interstitial Ni defects
DOI:10.1063/1.3633518  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:14  AU: Hazama, Hirofumi;Matsubara, Masato;Asahi, Ryoji;Takeuchi, Tsunehiro;
19:10:49     Enhanced phonon scattering by mass and strain field fluctuations in Nb substituted FeVSb half-Heusler thermoelectric materials
DOI:10.1063/1.4772605  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Fu, Chenguang;Xie, Hanhui;Zhu, T. J.;Xie, Jian;Zhao, X. B.;
19:10:50     Thermoelectric Modules Based on Half-Heusler Materials Produced in Large Quantities
DOI:10.1007/s11664-013-2863-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:15  AU: Bartholome, Kilian;Balke, Benjamin;Zuckermann, Daniel;Koehne, Martin;Mueller, Michael;Tarantik, Karina;Koenig, Jan;
19:10:51     Effects of Ir Substitution and Processing Conditions on Thermoelectric Performance of p-Type Zr0.5Hf0.5Co1-xIrxSb0.99Sn0.01 Half-Heusler Alloys
DOI:10.1007/s11664-010-1501-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:17  AU: Takas, Nathan J.;Sahoo, Pranati;Misra, Dinesh;Zhao, Hongfang;Henderson, Nathaniel L.;Stokes, Kevin;Poudeu, Pierre F. P.;
19:10:52     Effect of mechanical milling on thermoelectric properties of half-Heusler ZrNiSn0.98Sb0.02 intermetallic compound
DOI:10.1016/j.mseb.2009.10.021  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2010
  TC:10  AU: Katsuyama, Shigeru;Kobayashi, Tetsuya;
19:10:53     High thermoelectric performance in the multi-valley electronic system Zr3Ni3_xCoxSb4 and the high-mobility Zr3Ni3_xCuxSb4
DOI:10.1063/1.4869573  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Tamaki, H.;Kanno, T.;Sakai, A.;Takahashi, K.;Kusada, H.;Yamada, Y.;
19:10:54     Thermoelectric properties of spark plasma sintered composites based on TiNiSn half-Heusler alloys
DOI:10.1557/jmr.2011.107  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:11  AU: Gelbstein, Yaniv;Tal, Nadav;Yarmek, Aviad;Rosenberg, Yoav;Dariel, Moshe P.;Ouardi, Siham;Balke, Benjamin;Felser, Claudia;Koehne, Martin;
19:10:55     Electronic and Local Crystal Structures of the ZrNiSn Half-Heusler Thermoelectric Material
DOI:10.2320/matertrans.E-M2014803  JN:MATERIALS TRANSACTIONS  PY:2014
  TC:2  AU: Miyazaki, Hidetoshi;Nakano, Teruaki;Inukai, Manabu;Soda, Kazuo;Izumi, Yudai;Muro, Takayuki;Kim, Jungeun;Takata, Masaki;Matsunami, Masaharu;Kimura, Shin-ichi;Nishino, Yoichi;
19:10:56     Ab initio determination of crystal structures of the thermoelectric material MgAgSb
DOI:10.1103/PhysRevB.85.144120  JN:PHYSICAL REVIEW B  PY:2012
  TC:3  AU: Kirkham, Melanie J.;dos Santos, Antonio M.;Rawn, Claudia J.;Lara-Curzio, Edgar;Sharp, Jeff W.;Thompson, Alan J.;
19:10:57     P-type doping of Hf0.6Zr0.4NiSn half-Heusler thermoelectric materials prepared by levitation melting and spark plasma sintering
DOI:10.1557/jmr.2011.82  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:1  AU: Xiao, Kai;Zhu, Tie-Jun;Yu, Cui;Yang, Sheng-Hui;Zhao, Xin-Bing;
19:10:58     Implications of nanostructuring on the thermoelectric properties in half-Heusler alloys (vol 101, 133103, 2012)
DOI:10.1063/1.4759490  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:0  AU: Bhardwaj, A.;Misra, D. K.;Pulikkotil, J. J.;Auluck, S.;Dhar, A.;Budhani, R. C.;
19:10:59     Effects of Microstructural Evolution on the Thermoelectric Properties of Spark-Plasma-Sintered Ti0.3Zr0.35Hf0.35NiSn Half-Heusler Compound
DOI:10.1007/s11664-012-2249-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Appel, O.;Schwall, M.;Mogilyansky, D.;Koehne, M.;Balke, B.;Gelbstein, Y.;
19:10:60     Thermoelectric Properties of Ga-Doped Ba8Al (x) Si46-x Clathrate
DOI:10.1007/s11664-013-2948-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Onizuka, Yusuke;Oka, Takuya;Osada, Toshiko;Miura, Hideshi;Munetoh, Shinji;Furukimi, Osamu;
19:10:61     Power Generation Performance of Thermoelectric Module Consisting of Sb-Doped Heusler Fe2VAl Sintered Alloy
DOI:10.2320/matertrans.E-M2011807  JN:MATERIALS TRANSACTIONS  PY:2011
  TC:4  AU: Mikami, Masashi;Kobayashi, Keizo;Tanaka, Suguru;
19:11:1     Chalcopyrite CuGaTe2: A High-Efficiency Bulk Thermoelectric Material
DOI:10.1002/adma.201200732  JN:ADVANCED MATERIALS  PY:2012
  TC:52  AU: Plirdpring, Theerayuth;Kurosaki, Ken;Kosuga, Atsuko;Day, Tristan;Firdosy, Samad;Ravi, Vilupanur;Snyder, G. Jeffrey;Harnwunggmoung, Adul;Sugahara, Tohru;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:11:2     Cu-Se Bond Network and Thermoelectric Compounds with Complex Diamondlike Structure
DOI:10.1021/cm101589c  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:45  AU: Shi, Xiaoya;Xi, Lili;Fan, Jing;Zhang, Wenqing;Chen, Lidong;
19:11:3     Influence of a Nano Phase Segregation on the Thermoelectric Properties of the p-Type Doped Stannite Compound Cu2+xZn1-xGeSe4
DOI:10.1021/ja301452j  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:30  AU: Zeier, Wolfgang G.;LaLonde, Aaron;Gibbs, Zachary M.;Heinrich, Christophe P.;Panthoefer, Martin;Snyder, G. Jeffrey;Tremel, Wolfgang;
19:11:4     Thermoelectric properties of AgGaTe2 and related chalcopyrite structure materials
DOI:10.1103/PhysRevB.85.125209  JN:PHYSICAL REVIEW B  PY:2012
  TC:32  AU: Parker, David;Singh, David J.;
19:11:5     Thermoelectric properties of Sn-doped p-type Cu3SbSe4: a compound with large effective mass and small band gap
DOI:10.1039/c4ta01957a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:11  AU: Wei, Tian-Ran;Wang, Heng;Gibbs, Zachary M.;Wu, Chao-Feng;Snyder, G. Jeffrey;Li, Jing-Feng;
19:11:6     Enhanced thermoelectric performance of CuGaTe2 based composites incorporated with nanophase Cu2Se
DOI:10.1039/c3ta15211a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:5  AU: Zhang, Jian;Qin, Xiaoying;Li, Di;Xin, Hongxing;Song, Chunjun;Li, Liangliang;Zhu, Xiaoguang;Wang, Zhaoming;Guo, Guanglei;Wang, Ling;
19:11:7     Effect of Isovalent Substitution on the Thermoelectric Properties of the Cu2ZnGeSe4-xSx Series of Solid Solutions
DOI:10.1021/ja410753k  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:5  AU: Heinrich, Christophe P.;Day, Tristan W.;Zeier, Wolfgang G.;Snyder, G. Jeffrey;Tremel, Wolfgang;
19:11:8     Comparative study of structural and electronic properties of Cu-based multinary semiconductors
DOI:10.1103/PhysRevB.84.075127  JN:PHYSICAL REVIEW B  PY:2011
  TC:22  AU: Zhang, Yubo;Yuan, Xun;Sun, Xiudong;Shih, Bi-Ching;Zhang, Peihong;Zhang, Wenqing;
19:11:9     High thermoelectric figure of merit in the Cu3SbSe4-Cu3SbS4 solid solution
DOI:10.1063/1.3605246  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:28  AU: Skoug, Eric J.;Cain, Jeffrey D.;Morelli, Donald T.;
19:11:10     Investigation of thermoelectric properties of Cu2Gax Sni(1-x)Se(3) diamond-like compounds by hot pressing and spark plasma sintering
DOI:10.1016/j.actamat.2013.04.003  JN:ACTA MATERIALIA  PY:2013
  TC:10  AU: Fan, Jing;Liu, Huili;Shi, Xiaoya;Bai, Shengqiang;Shi, Xun;Chen, Lidong;
19:11:11     Hot-injection synthesis and characterization of monodispersed ternary Cu2SnSe3 nanocrystals for thermoelectric applications
DOI:10.1016/j.jallcom.2013.07.119  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:3  AU: Song, Ji-Ming;Liu, Yu;Niu, He-Lin;Mao, Chang-Jie;Cheng, Long-Jiu;Zhang, Sheng-Yi;Shen, Yu-Hua;
19:11:12     Lattice thermal conductivity of the Cu3SbSe4-Cu3SbS4 solid solution
DOI:10.1063/1.3610385  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:19  AU: Skoug, Eric J.;Cain, Jeffrey D.;Morelli, Donald T.;Kirkham, Melanie;Majsztrik, Paul;Lara-Curzio, Edgar;
19:11:13     Chemical bonding, conductive network, and thermoelectric performance of the ternary semiconductors Cu2SnX3 (X = Se, S) from first principles
DOI:10.1103/PhysRevB.86.155201  JN:PHYSICAL REVIEW B  PY:2012
  TC:9  AU: Xi, L.;Zhang, Y. B.;Shi, X. Y.;Yang, J.;Shi, X.;Chen, L. D.;Zhang, W.;Yang, Jihui;Singh, D. J.;
19:11:14     First-principles study of thermoelectric and lattice vibrational properties of chalcopyrite CuGaTe2
DOI:10.1016/j.jallcom.2013.03.174  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:9  AU: Zou, Daifeng;Xie, Shuhong;Liu, Yunya;Lin, Jianguo;Li, Jiangyu;
19:11:15     Phonon Scattering through a Local Anisotropic Structural Disorder in the Thermoelectric Solid Solution Cu2Zn1-xFexGeSe4
DOI:10.1021/ja308627v  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2013
  TC:22  AU: Zeier, Wolfgang G.;Pei, Yanzhong;Pomrehn, Gregory;Day, Tristan;Heinz, Nicholas;Heinrich, Christophe P.;Snyder, G. Jeffrey;Tremel, Wolfgang;
19:11:16     Enhanced thermoelectric performance in Cd doped CuInTe2 compounds
DOI:10.1063/1.4872250  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Cheng, N.;Liu, R.;Bai, S.;Shi, X.;Chen, L.;
19:11:17     Enhanced thermoelectric properties of Ag-doped compounds CuAgxGa1-xTe2 (0 <= x <= 0.05)
DOI:10.1016/j.jallcom.2013.10.030  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Zhang, Jian;Qin, Xiaoying;Li, Di;Xin, Hongxing;Song, Chunjun;Li, Liangliang;Wang, Zhaoming;Guo, Guanglei;Wang, Ling;
19:11:18     Thermoelectric properties of Ag1-xGaTe2 with chalcopyrite structure
DOI:10.1063/1.3617458  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:27  AU: Yusufu, Aikebaier;Kurosaki, Ken;Kosuga, Atsuko;Sugahara, Tohru;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:11:19     High thermoelectric performance of solid solutions CuGa1-xInxTe2 (x=0-1.0)
DOI:10.1063/1.4726109  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:14  AU: Li, Yapeng;Meng, Qingsen;Deng, Yuan;Zhou, Hong;Gao, Yulan;Li, Yiyun;Yang, Jiangfeng;Cui, Jiaolin;
19:11:20     High-temperature thermoelectric properties of Cu1-xInTe2 with a chalcopyrite structure
DOI:10.1063/1.3678044  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:18  AU: Kosuga, Atsuko;Plirdpring, Theerayuth;Higashine, Ryosuke;Matsuzawa, Mie;Kurosaki, Ken;Yamanaka, Shinsuke;
19:11:21     Promising defect thermoelectric semiconductors Cu1-xGaSbxTe2 (x = 0-0.1) with the chalcopyrite structure
DOI:10.1039/c2ta00157h  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:14  AU: Cui, Jiaolin;Li, Yapeng;Du, Zhengliang;Meng, Qingsen;Zhou, Hong;
19:11:22     Thermoelectric properties and investigations of low thermal conductivity in Ga-doped Cu2GeSe3
DOI:10.1103/PhysRevB.84.085207  JN:PHYSICAL REVIEW B  PY:2011
  TC:17  AU: Cho, J. Y.;Shi, X.;Salvador, J. R.;Meisner, G. P.;Yang, J.;Wang, H.;Wereszczak, A. A.;Zhou, X.;Uher, C.;
19:11:23     High-Performance Pseudocubic Thermoelectric Materials from Non-cubic Chalcopyrite Compounds
DOI:10.1002/adma.201400058  JN:ADVANCED MATERIALS  PY:2014
  TC:9  AU: Zhang, Jiawei;Liu, Ruiheng;Cheng, Nian;Zhang, Yubo;Yang, Jihui;Uher, Ctirad;Shi, Xun;Chen, Lidong;Zhang, Wenqing;
19:11:24     Synthesis and property evaluation of CuFeS2-x as earth-abundant and environmentally-friendly thermoelectric materials
DOI:10.1016/j.jallcom.2012.09.067  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:9  AU: Li, Jianhui;Tan, Qing;Li, Jing-Feng;
19:11:25     Band convergence in the non-cubic chalcopyrite compounds Cu2MGeSe4
DOI:10.1039/c4tc02218a  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2014
  TC:0  AU: Zeier, Wolfgang G.;Zhu, Hong;Gibbs, Zachary M.;Ceder, Gerbrand;Tremel, Wolfgang;Snyder, G. Jeffrey;
19:11:26     First-principles prediction the effect of lattice deformation on thermoelectric properties of CuGaTe2
DOI:10.1016/j.commatsci.2014.03.065  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2014
  TC:1  AU: Xue, Li;Xu, Bin;Zhao, Degang;Yi, Lin;
19:11:27     Thermoelectric properties of the Cu2SnSe3-Cu2GeSe3 solid solution
DOI:10.1016/j.jallcom.2010.06.182  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:24  AU: Skoug, Eric J.;Cain, Jeffrey D.;Morelli, Donald T.;
19:11:28     Thermoelectric transport properties of diamond-like Cu1-xFe1+xS2 tetrahedral compounds
DOI:10.1063/1.4902849  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Li, Yulong;Zhang, Tiansong;Qin, Yuting;Day, Tristan;Snyder, G. Jeffrey;Shi, Xun;Chen, Lidong;
19:11:29     Thermoelectric properties of Zn doped Cu2SnSe3
DOI:10.1016/j.matchemphys.2014.06.054  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2014
  TC:0  AU: Raju, Ch;Falmbigl, M.;Rogl, P.;Heinrich, P.;Royanian, E.;Bauer, E.;Mallik, Ramesh Chandra;
19:11:30     Structure-property relationships along the Fe-substituted CuInS2 series: Tuning of thermoelectric and magnetic properties
DOI:10.1016/j.matchemphys.2014.03.034  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2014
  TC:3  AU: Burnett, Johanna D.;Gourdon, Olivier;Ranmohotti, Kulugammana G. S.;Takas, Nathan J.;Djieutedjeu, Honore;Poudeu, Pierre F. P.;Aitken, Jennifer A.;
19:11:31     Thermoelectric properties of p-type CuInSe2 chalcopyrites enhanced by introduction of manganese
DOI:10.1103/PhysRevB.84.075203  JN:PHYSICAL REVIEW B  PY:2011
  TC:14  AU: Yao, Jinlei;Takas, Nathan J.;Schliefert, Megan L.;Paprocki, David S.;Blanchard, Peter E. R.;Gou, Huiyang;Mar, Arthur;Exstrom, Christopher L.;Darveau, Scott A.;Poudeu, Pierre F. P.;Aitken, Jennifer A.;
19:11:32     Crystal Structure and Physical Properties of Ternary Phases around the Composition Cu5Sn2Se7 with Tetrahedral Coordination of Atoms
DOI:10.1021/cm501899q  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:2  AU: Fan, Jing;Carrillo-Cabrera, Wilder;Antonyshyn, Iryna;Prots, Yurii;Veremchuk, Igor;Schnelle, Walter;Drathen, Christina;Chen, Lidong;Grin, Yuri;
19:11:33     Enhanced Thermoelectric Performance of Nonstoichiometric Compounds Cu3-x SbSe4 by Cu Deficiencies
DOI:10.1007/s11664-014-3018-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:7  AU: Wei, Tian-Ran;Li, Fu;Li, Jing-Feng;
19:11:34     Improvement in Thermoelectric Properties of Se-Free Cu3SbS4 Compound
DOI:10.1007/s11664-014-3064-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:5  AU: Suzumura, Akitoshi;Watanabe, Masaki;Nagasako, Naoyuki;Asahi, Ryoji;
19:11:35     Manipulation of the crystal structure defects: An alternative route to the reduction in lattice thermal conductivity and improvement in thermoelectric performance of CuGaTe2
DOI:10.1063/1.4813088  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:5  AU: Wu, Wenchang;Li, Yapeng;Du, Zhengliang;Meng, Qingsen;Sun, Zheng;Ren, Wei;Cui, Jiaolin;
19:11:36     Bandgap reduction responsible for the improved thermoelectric performance of bulk polycrystalline In2-xCuxSe3 (x=0-0.2)
DOI:10.1063/1.3609067  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:14  AU: Cui, Jiaolin;Liu, Xianglian;Zhang, Xiaojun;Li, Yiyun;Deng, Yuan;
19:11:37     Improved Thermoelectric Performance in Cu-Based Ternary Chalcogenides Using S for Se Substitution
DOI:10.1007/s11664-012-1969-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:10  AU: Skoug, Eric J.;Cain, Jeffrey D.;Morelli, Donald T.;
19:11:38     Thermoelectric Properties of Mn-Doped Cu2SnSe3
DOI:10.1007/s11664-011-1873-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:10  AU: Lu, Xu;Morelli, Donald T.;
19:11:39     Possible Enhancement of Thermoelectric Properties by Use of a Magnetic Semiconductor: Carrier-Doped Chalcopyrite Cu1-x Fe1+x S-2
DOI:10.1007/s11664-013-2485-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:6  AU: Tsujii, Naohito;
19:11:40     Bond strength dependent superionic phase transformation in the solid solution series Cu2ZnGeSe4-xSx
DOI:10.1039/c3ta13007j  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:5  AU: Zeier, Wolfgang G.;Heinrich, Christophe P.;Day, Tristan;Panithipongwut, Chatr;Kieslich, Gregor;Brunklaus, Gunther;Snyder, G. Jeffrey;Tremel, Wolfgang;
19:11:41     Significantly enhanced thermoelectric figure of merit through Cu, Sb co-substitutions for Te in Ga2Te3
DOI:10.1063/1.4747621  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:2  AU: Cui, Jiaolin;Gao, Yulan;Zhou, Hong;Li, Yapeng;Meng, Qingsen;Yang, Jiangfeng;
19:11:42     Effects of bismuth doping on the thermoelectric properties of Cu3SbSe4 at moderate temperatures
DOI:10.1016/j.jallcom.2013.01.131  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:13  AU: Li, X. Y.;Li, D.;Xin, H. X.;Zhang, J.;Song, C. J.;Qin, X. Y.;
19:11:43     Thermoelectric properties of ternary diamondlike semiconductors Cu2Ge1+xSe3
DOI:10.1063/1.3488021  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:11  AU: Cho, Jung Young;Shi, Xun;Salvador, J. R.;Yang, J.;Wang, H.;
19:11:44     Enhancement of Thermoelectric Performance of Ball-Milled Bismuth Due to Spark-Plasma-Sintering-Induced Interface Modifications
DOI:10.1002/adma.201204010  JN:ADVANCED MATERIALS  PY:2013
  TC:9  AU: Puneet, Pooja;Podila, Ramakrishna;Zhu, Song;Skove, Malcolm J.;Tritt, Terry M.;He, Jian;Rao, Apparao M.;
19:11:45     High thermoelectric performance of GeTe-Ag8GeTe6 eutectic composites
DOI:10.1016/j.jallcom.2013.02.149  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:7  AU: Li, J. Q.;Li, L. F.;Song, S. H.;Liu, F. S.;Ao, W. Q.;
19:11:46     Effect of Indium Substitution on the Thermoelectric Properties of Orthorhombic Cu4SnS4
DOI:10.1007/s11664-014-3007-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Goto, Yosuke;Kamihara, Yoichi;Matoba, Masanori;
19:11:47     High-temperature thermoelectric properties of non-stoichiometric Agi(1-x)InTe(2) with chalcopyrite structure
DOI:10.1016/j.mseb.2012.04.025  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2012
  TC:8  AU: Aikebaier, Y.;Kurosaki, K.;Sugahara, T.;Ohishi, Y.;Muta, H.;Yamanaka, S.;
19:11:48     Site Preference of Manganese on the Copper Site in Mn-Substituted CuInSe2 Chalcopyrites Revealed by a Combined Neutron and X-ray Powder Diffraction Study
DOI:10.1021/cm902795e  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:14  AU: Yao, Jinlei;Wang, Zhenxing;van Tol, Johan;Dalal, Naresh S.;Aitken, Jennifer A.;
19:11:49     High-temperature thermoelectric properties of Cu2Ga4Te7 with defect zinc-blende structure
DOI:10.1063/1.3583662  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:12  AU: Plirdpring, Theerayuth;Kurosaki, Ken;Kosuga, Atsuko;Ishimaru, Manabu;Harnwunggmoung, Adul;Sugahara, Tohru;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:11:50     In Situ Preparation and Thermoelectric Properties of B4C1-x -TiB2 Composites
DOI:10.1007/s11664-012-2413-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Feng, Bing;Martin, Hans-Peter;Michaelis, Alexander;
19:11:51     Effect of Ball-Milling Conditions on Thermoelectric Properties of Polycrystalline CuGaTe2
DOI:10.2320/matertrans.E-M2014821  JN:MATERIALS TRANSACTIONS  PY:2014
  TC:0  AU: Kumagai, Masaya;Kurosaki, Ken;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:11:52     Mn incorporation in CuInS2 chalcopyrites: Structure, magnetism and optical properties
DOI:10.1016/j.matchemphys.2012.06.066  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2012
  TC:2  AU: Yao, Jinlei;Rudyk, Brent W.;Brunetta, Carl D.;Knorr, Kathyrn B.;Figore, Heather A.;Mar, Arthur;Aitken, Jennifer A.;
19:11:53     CuSbSe2-assisted sintering of CuInSe2 at low temperature
DOI:10.1007/s10853-012-6385-3  JN:JOURNAL OF MATERIALS SCIENCE  PY:2012
  TC:4  AU: Yang, Chongyin;Wang, Yaoming;Li, Shaotang;Wan, Dongyun;Huang, Fuqiang;
19:11:54     Microstructure and thermoelectric properties of Ca0.9Yb0.1MnO3/Pd nanocomposite prepared by electroless plating
DOI:10.1016/j.jallcom.2013.03.026  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:3  AU: Kosuga, Atsuko;Tsuchiya, Kazuyo;Matsuzawa, Mie;
19:12:1     Composition and the thermoelectric performance of beta-Zn4Sb3
DOI:10.1039/c0jm02011g  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2010
  TC:49  AU: Toberer, Eric S.;Rauwel, Protima;Gariel, Sylvain;Tafto, J.;Snyder, G. Jeffrey;
19:12:2     Modeling the thermal conductivities of the zinc antimonides ZnSb and Zn4Sb3
DOI:10.1103/PhysRevB.89.024304  JN:PHYSICAL REVIEW B  PY:2014
  TC:2  AU: Bjerg, Lasse;Iversen, Bo B.;Madsen, Georg K. H.;
19:12:3     Ab initio Calculations of Intrinsic Point Defects in ZnSb
DOI:10.1021/cm300642t  JN:CHEMISTRY OF MATERIALS  PY:2012
  TC:20  AU: Bjerg, Lasse;Madsen, Georg K. H.;Iversen, Bo B.;
19:12:4     Nanovoids in thermoelectric beta-Zn4Sb3: A possibility for nanoengineering via Zn diffusion
DOI:10.1016/j.actamat.2011.05.003  JN:ACTA MATERIALIA  PY:2011
  TC:22  AU: Rauwel, Protima;Lovvik, Ole Martin;Rauwel, Erwan;Tafto, Johan;
19:12:5     Trend for Thermoelectric Materials and Their Earth Abundance
DOI:10.1007/s11664-011-1839-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:16  AU: Amatya, R.;Ram, R. J.;
19:12:6     Entropic stabilization and retrograde solubility in Zn4Sb3
DOI:10.1103/PhysRevB.83.094106  JN:PHYSICAL REVIEW B  PY:2011
  TC:17  AU: Pomrehn, Gregory S.;Toberer, Eric S.;Snyder, G. Jeffrey;van de Walle, Axel;
19:12:7     Physical properties of thermoelectric zinc antimonide using first-principles calculations
DOI:10.1103/PhysRevB.85.224105  JN:PHYSICAL REVIEW B  PY:2012
  TC:8  AU: Jund, Philippe;Viennois, Romain;Tao, Xiaoma;Niedziolka, Kinga;Tedenac, Jean-Claude;
19:12:8     Enhancement of the thermoelectric performance of beta-Zn4Sb3 by in situ nanostructures and minute Cd-doping
DOI:10.1016/j.actamat.2011.04.023  JN:ACTA MATERIALIA  PY:2011
  TC:18  AU: Wang, Shanyu;Li, Han;Qi, Dekui;Xie, Wenjie;Tang, Xinfeng;
19:12:9     Fulfilling thermoelectric promises: beta-Zn4Sb3 from materials research to power generation
DOI:10.1039/c0jm02000a  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2010
  TC:27  AU: Iversen, Bo Brummerstedt;
19:12:10     The realization of a high thermoelectric figure of merit in Ge-substituted beta-Zn4Sb3 through band structure modification
DOI:10.1039/c2jm30906h  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:13  AU: Wang, Shanyu;Tan, Xiaojian;Tan, Gangjian;She, Xiaoyu;Liu, Wei;Li, Han;Liu, Huijun;Tang, Xinfeng;
19:12:11     Low-Cost High-Performance Zinc Antimonide Thin Films for Thermoelectric Applications
DOI:10.1002/adma.201104947  JN:ADVANCED MATERIALS  PY:2012
  TC:13  AU: Sun, Ye;Christensen, Mogens;Johnsen, Simon;Nong, Ngo V.;Ma, Yi;Sillassen, Michael;Zhang, Eryun;Palmqvist, Anders E. C.;Bottiger, Jorgen;Iversen, Bo B.;
19:12:12     Enhanced Thermoelectric Properties in Zinc Antimonides
DOI:10.1021/cm201271d  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:34  AU: Bjerg, Lasse;Madsen, Georg K. H.;Iversen, Bo B.;
19:12:13     Crystal structure, chemical bond and enhanced performance of beta- Zn4Sb3 compounds with interstitial indium dopant
DOI:10.1016/j.jallcom.2014.02.060  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Tang, Dingguo;Zhao, Wenyu;Yu, Jian;Wei, Ping;Zhou, Hongyu;Zhu, Wanting;Zhang, Qingjie;
19:12:14     Zinc antimonide thin films prepared by ion beam sputtering deposition using ternary layers annealing method
DOI:10.1016/j.jallcom.2014.01.133  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Zheng, Zhuang-hao;Fan, Ping;Liu, Peng-juan;Luo, Jing-ting;Liang, Guang-xing;Zhang, Dong-ping;
19:12:15     Unexpected High-Temperature Stability of beta-Zn4Sb3 Opens the Door to Enhanced Thermoelectric Performance
DOI:10.1021/ja410605f  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:3  AU: Lin, Jianping;Li, Xudong;Qiao, Guanjun;Wang, Zhao;Carrete, Jesus;Ren, Yang;Ma, Lingzhi;Fei, Youjian;Yang, Baifeng;Lei, Lei;Li, Ju;
19:12:16     Crystal structure, electronic structure, and thermoelectric properties of beta-Zn4Sb3 from first principles
DOI:10.1103/PhysRevB.81.035203  JN:PHYSICAL REVIEW B  PY:2010
  TC:17  AU: Qiu, A. N.;Zhang, L. T.;Wu, J. S.;
19:12:17     Substitution in MxZn4-xSb3: Effect on Thermal Stability, Crystal Structure, Phase Transitions, and Thermoelectric Performance
DOI:10.1021/cm903659g  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:26  AU: Pedersen, Birgitte L.;Yin, Hao;Birkedal, Henrik;Nygren, Mats;Iversen, Bo B.;
19:12:18     Enhanced thermoelectric figure of merit in p-type Ag-doped ZnSb nanostructured with Ag3Sb
DOI:10.1016/j.scriptamat.2013.05.029  JN:SCRIPTA MATERIALIA  PY:2013
  TC:11  AU: Xiong, Ding-Bang;Okamoto, Norihiko L.;Inui, Haruyuki;
19:12:19     Ag and Cu doping and their effects on the thermoelectric properties of beta-Zn4Sb3
DOI:10.1103/PhysRevB.81.245215  JN:PHYSICAL REVIEW B  PY:2010
  TC:15  AU: Liu, Mian;Qin, Xiaoying;Liu, Changsong;Pan, Lin;Xin, Hongxing;
19:12:20     Zn migration during spark plasma sintering of thermoelectric Zn4Sb3
DOI:10.1063/1.4731764  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:9  AU: Yin, Hao;Christensen, Mogens;Lock, Nina;Iversen, Bo B.;
19:12:21     Atomistic origin of glass-like Zn4Sb3 thermal conductivity
DOI:10.1063/1.4820247  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:3  AU: Li, Xudong;Carrete, Jesus;Lin, Jianping;Qiao, Guanjun;Wang, Zhao;
19:12:22     Effects of Ag doping on thermoelectric properties of Zn4Sb3 at low temperatures
DOI:10.1016/j.jallcom.2009.09.058  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:16  AU: Pan, L.;Qin, X. Y.;Liu, M.;Liu, F.;
19:12:23     Thermoelectric studies in beta-Zn4Sb3-the complex interdependence between thermal stability, thermoelectric transport, and zinc content
DOI:10.1063/1.4794816  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:7  AU: Dasgupta, T.;Stiewe, C.;Sesselmann, A.;Yin, H.;Iversen, B. B.;Mueller, E.;
19:12:24     Physical properties of the thermoelectric cubic lanthanum chalcogenides La3-yX4 (X = S, Se, Te)
DOI:10.1103/PhysRevB.88.174302  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Viennois, Romain;Niedziolka, Kinga;Jund, Philippe;
19:12:25     Effect of Bi doping on the thermoelectric properties of Zn4Sb3
DOI:10.1016/j.jallcom.2010.05.034  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:13  AU: Zhou, Limei;Li, Wei;Jiang, Jun;Zhang, Ting;Li, Yong;Xu, Gaojie;Cui, Ping;
19:12:26     Predicted Electronic and Thermodynamic Properties of a Newly Discovered Zn8Sb7 Phase
DOI:10.1021/ja202458n  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2011
  TC:11  AU: Pomrehn, Gregory S.;Toberer, Eric S.;Snyder, G. Jeffrey;van de Walle, Axel;
19:12:27     Transport properties of the II-V semiconductor ZnSb
DOI:10.1039/c2ta00509c  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:10  AU: Eklof, D.;Fischer, A.;Wu, Y.;Scheidt, E. -W.;Scherer, W.;Haussermann, U.;
19:12:28     Origin of the low thermal conductivity of the thermoelectric material beta-Zn4Sb3: An ab initio theoretical study
DOI:10.1063/1.3599483  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:9  AU: Chen, Weibing;Li, Jingbo;
19:12:29     Fast Direct Synthesis and Compaction of Homogenous Phase-Pure Thermoelectric Zn4Sb3
DOI:10.1021/am502089a  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:3  AU: Yin, Hao;Blichfeld, Anders Bank;Christensen, Mogens;Iversen, Bo Brummerstedt;
19:12:30     Enhanced thermoelectric properties of mixed zinc antimonide thin films via phase optimization
DOI:10.1016/j.apsusc.2013.12.056  JN:APPLIED SURFACE SCIENCE  PY:2014
  TC:3  AU: Zheng, Zhuang-hao;Fan, Ping;Liu, Peng-juan;Luo, Jing-ting;Cai, Xing-min;Liang, Guang-xing;Zhang, Dong-ping;Ye, Fan;Li, Ying-zhen;Lin, Qing-yun;
19:12:31     Solution Synthesis of a New Thermoelectric Zn1-xSb Nanophase and Its Structure Determination Using Automated Electron Diffraction Tomography
DOI:10.1021/ja1035122  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2010
  TC:39  AU: Birkel, Christina S.;Mugnaioli, Enrico;Gorelik, Tatiana;Kolb, Ute;Panthoefer, Martin;Tremel, Wolfgang;
19:12:32     Enhanced Thermoelectric Performance and Thermal Stability in beta-Zn4Sb3 by Slight Pb-Doping
DOI:10.1007/s11664-012-1927-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Wang, S. Y.;She, X. Y.;Zheng, G.;Fu, F.;Li, H.;Tang, X. F.;
19:12:33     Synthesis and high-performance thermoelectric properties of beta-Zn4Sb3 nanowires
DOI:10.1016/j.matlet.2012.06.046  JN:MATERIALS LETTERS  PY:2012
  TC:5  AU: Liu, Yu-Biao;Zhou, Shao-Min;Yuan, Xian-You;Lou, Shi-Yun;Gao, Tao;Shi, Xiao-Jing;Wu, Xiao-Ping;
19:12:34     Preparation of Single-Phase ZnSb Thermoelectric Materials Using a Mechanical Grinding Process
DOI:10.2320/matertrans.MH200902  JN:MATERIALS TRANSACTIONS  PY:2010
  TC:14  AU: Okamura, Chinatsu;Ueda, Takashi;Hasezaki, Kazuhiro;
19:12:35     Properties of thermoelectric Zn-Sb type material directly synthesized by spark plasma sintering
DOI:10.1016/j.jallcom.2014.07.120  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Wrona, A.;Bilewska, K.;Mazur, J.;Lis, M.;Staszewski, M.;
19:12:36     Effects of Bi doping on the thermoelectric properties of beta-Zn4Sb3
DOI:10.1063/1.3544479  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:9  AU: Qin, X. Y.;Liu, M.;Pan, L.;Xin, H. X.;Sun, J. H.;Wang, Q. Q.;
19:12:37     Thermoelectric properties of Zn5Sb4In2-delta (delta=0.15)
DOI:10.1063/1.4729566  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Wu, Y.;Litvinchuk, A. P.;Toberer, E. S.;Snyder, G. J.;Newman, N.;Fischer, A.;Scheidt, E. -W.;Scherer, W.;Haeussermann, U.;
19:12:38     Thermoelectric properties of Cu doped ZnSb containing Zn3P2 particles
DOI:10.1063/1.3675505  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:13  AU: Valset, K.;Bottger, P. H. M.;Tafto, J.;Finstad, T. G.;
19:12:39     Thermal Stability of Thermoelectric Zn4Sb3
DOI:10.1007/s11664-009-1053-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:14  AU: Yin, H.;Christensen, M.;Pedersen, B. L.;Nishibori, E.;Aoyagi, S.;Iversen, B. B.;
19:12:40     Thermoelectric Properties of Melt-Spun ZnxSb3 Ribbons
DOI:10.1007/s11664-012-1910-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Hasaka, M.;Morimura, T.;Nakashima, H.;
19:12:41     Molecular Dynamics Study of Mechanical Properties of beta-Zn4Sb3 Nanowires: Temperature, Strain Rate, and Size Effect
DOI:10.1007/s11664-013-2775-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Li, Guodong;Li, Yao;Chen, Gang;Zhang, Qingjie;Liu, Lisheng;Zhai, Pengcheng;
19:12:42     Thermoelectric properties of Zn4Sb3 prepared by hot pressing
DOI:10.1016/j.materresbull.2011.04.024  JN:MATERIALS RESEARCH BULLETIN  PY:2011
  TC:13  AU: Ahn, J. H.;Oh, M. W.;Kim, B. S.;Park, S. D.;Min, B. K.;Lee, H. W.;Shim, Y. J.;
19:12:43     Study of interatomic potential and thermal structural properties of beta-Zn4Sb3
DOI:10.1016/j.materresbull.2012.06.059  JN:MATERIALS RESEARCH BULLETIN  PY:2012
  TC:6  AU: Li, Guodong;Li, Yao;Liu, Lisheng;Zhang, Qingjie;Zhai, Pengcheng;
19:12:44     The influence of Bi doping in the thermoelectric properties of co-sputtering deposited bismuth antimony telluride thin films
DOI:10.1016/j.materresbull.2012.10.026  JN:MATERIALS RESEARCH BULLETIN  PY:2013
  TC:6  AU: Fan, Ping;Chen, Tianbao;Zheng, Zhuanghao;Zhang, Dongping;Cai, Xingmin;Cai, Zhaokun;Huang, Yiyi;
19:12:45     ICP-AES and MicroRaman corrosion behaviour investigation on Zn4Sb3 and Al, Ag doped phases in sodium chloride solution
DOI:10.1016/j.jallcom.2013.11.059  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Carlini, Riccardo;Carnasciali, Maria Maddalena;Soggia, Francesco;Campodonico, Serena;Zanicchi, Gilda;
19:12:46     Influence of Ball-Milling, Nanostructuring, and Ag Inclusions on Thermoelectric Properties of ZnSb
DOI:10.1007/s11664-010-1269-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:14  AU: Bottger, P. H. Michael;Valset, Kjetil;Deledda, Stefano;Finstad, Terje G.;
19:12:47     Influence of Substrate Temperature on Structural and Thermoelectric Properties of Antimony Telluride Thin Films Fabricated by RF and DC Cosputtering
DOI:10.1007/s11664-011-1896-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Chen, Tianbao;Fan, Ping;Zheng, Zhuanghao;Zhang, Dongping;Cai, Xingmin;Liang, Guangxing;Cai, Zhaokun;
19:12:48     Multiple phase formation and its influence on lattice thermal conductivity in beta-Zn4Sb3
DOI:10.1557/jmr.2011.116  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:7  AU: Dasgupta, Titus;Stiewe, Christian;Boettcher, Lothar;Hassdorf, Ralf;Yin, Hao;Iversen, Bo;Mueller, Eckhard;
19:12:49     Electronic structure and chemical bonding of the electron-poor II-V semiconductors ZnSb and ZnAs
DOI:10.1103/PhysRevB.84.125211  JN:PHYSICAL REVIEW B  PY:2011
  TC:8  AU: Benson, Daryn;Sankey, Otto F.;Haeussermann, Ulrich;
19:12:50     Enhanced thermoelectric performance with participation of F-electrons in beta-Zn4Sb3
DOI:10.1016/j.jallcom.2013.09.022  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Liu, Mian;Qin, Xiaoying;Liu, Changsong;Li, Xiyu;Yang, Xiuhui;
19:12:51     Improved Thermoelectric Performance and Mechanical Properties of Nanostructured Melt-Spun beta-Zn4Sb3
DOI:10.1007/s11664-010-1288-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:12  AU: Qi, Dekui;Tang, Xinfeng;Li, Han;Yan, Yonggao;Zhang, Qingjie;
19:12:52     Effect of Addition of Ag, In or Pb on the Structure and Thermoelectric Performance of beta-Zn4Sb3
DOI:10.1007/s11664-012-2139-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Liu, F. S.;Pan, L. C.;Ao, W. Q.;He, L. P.;Li, X. X.;Li, H. T.;Li, J. Q.;
19:12:53     The effect of secondary phase on thermoelectric properties of Zn4Sb3 compound
DOI:10.1016/j.nanoen.2013.04.010  JN:NANO ENERGY  PY:2013
  TC:4  AU: Zhu, Gaohua;Liu, Weishu;Lan, Yucheng;Joshi, Giri;Wang, Hui;Chen, Gang;Ren, Zhifeng;
19:12:54     High-resolution nanostructural investigation of Zn4Sb3 alloys
DOI:10.1016/j.scriptamat.2010.06.014  JN:SCRIPTA MATERIALIA  PY:2010
  TC:18  AU: Gault, Baptiste;Marquis, Emmanuelle A.;Saxey, David W.;Hughes, Gareth M.;Mangelinck, Dominique;Toberer, Eric S.;Snyder, G. Jeff;
19:12:55     Heterogeneous in-situ nanostructure contributes to the thermoelectric performance of Zn4Sb3
DOI:10.1063/1.4802780  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Lin, Jianping;Qiao, Guanjun;Ma, Lingzhi;Ren, Yang;Yang, Baifeng;Fei, Youjian;Lei, Lei;
19:12:56     The high performance of a thin film thermoelectric generator with heat flow running parallel to film surface
DOI:10.1063/1.4788817  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:8  AU: Fan, Ping;Zheng, Zhuang-hao;Cai, Zhao-kun;Chen, Tian-bao;Liu, Peng-juan;Cai, Xing-min;Zhang, Dong-ping;Liang, Guang-xing;Luo, Jing-ting;
19:12:57     Thermoelectric properties of Zn4Sb3/CeFe(4-x)CoxSb12 nano-layered superlattices modified by MeV Si ion beam
DOI:10.1016/j.apsusc.2014.04.026  JN:APPLIED SURFACE SCIENCE  PY:2014
  TC:0  AU: Budak, S.;Guner, S.;Minamisawa, R. A.;Muntele, C. I.;Ila, D.;
19:12:58     Temperature dependent elastic coefficients of Mg2X (X = Si, Ge, Sn, Pb) compounds from first-principles calculations
DOI:10.1016/j.jallcom.2010.03.153  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:14  AU: Ganeshan, S.;Shang, S. L.;Wang, Y.;Liu, Z. -K.;
19:12:59     Synthesis and Measurement of the Thermoelectric Properties of Multiphase Composites: ZnSb Matrix with Zn4Sb3, Zn3P2, and Cu5Zn8
DOI:10.1007/s11664-012-2441-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Sottmann, Jonas;Valset, Kjetil;Karlsen, Ole Bjorn;Tafto, Johan;
19:12:60     Microstructures and Thermoelectric Properties of Melt-Spun Zn (x) Sb-3 Ribbons
DOI:10.1007/s11664-013-2481-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Morimura, Takao;Hasaka, Masayuki;Nakashima, Hiromichi;
19:12:61     Thermal Instability of beta-Zn4Sb3: Insights from Transport and Structural Measurements
DOI:10.1007/s11664-013-2490-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Dasgupta, T.;Yin, H.;de Boor, J.;Stiewe, C.;Iversen, B. B.;Mueller, E.;
19:12:62     New Interest in Intermetallic Compound ZnSb
DOI:10.1007/s11664-014-3053-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:4  AU: Fedorov, M. I.;Prokof'eva, L. V.;Pshenay-Severin, D. A.;Shabaldin, A. A.;Konstantinov, P. P.;
19:12:63     Enhanced thermoelectric power near the quantum phase transition in the itinerant-electron ferromagnet MnSi
DOI:10.1103/PhysRevB.82.214402  JN:PHYSICAL REVIEW B  PY:2010
  TC:4  AU: Cheng, J. -G.;Zhou, F.;Zhou, J. -S.;Goodenough, J. B.;Sui, Y.;
19:12:64     Self-diffusion in Zn4Sb3 from first-principles molecular dynamics
DOI:10.1016/j.commatsci.2011.04.015  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2011
  TC:3  AU: Lovvik, Ole Martin;Rauwel, Protima;Prytz, Oystein;
19:12:65     Effects of Cooling Rate on Thermoelectric Properties of n-Type Bi-2(Se0.4Te0.6)(3) Compounds
DOI:10.1007/s11664-011-1559-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:7  AU: Wang, S. Y.;Xie, W. J.;Li, H.;Tang, X. F.;Zhang, Q. J.;
19:12:66     Lattice thermal conductivity prediction of nanoporous beta-Zn4Sb3: A nonequilibrium molecular dynamics simulation
DOI:10.1016/j.matlet.2013.06.047  JN:MATERIALS LETTERS  PY:2013
  TC:1  AU: Li, Guodong;Li, Yao;Liu, Lisheng;Zhang, Qingjie;Zhai, Pengcheng;
19:12:67     Combustion synthesis: A new approach for preparation of thermoelectric zinc antimonide compounds
DOI:10.1016/j.jallcom.2012.03.089  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:5  AU: Rouessac, F.;Ayral, R. -M.;
19:12:68     Single-Phase beta-Zn4Sb3 Prepared by a Mechanical Grinding Method (Retracted article. See vol. 41, pg. 2659, 2012)
DOI:10.1007/s11664-009-0979-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:3  AU: Okamura, Chinatsu;Ueda, Takashi;Hasezaki, Kazuhiro;
19:12:69     Molecular Dynamics Study of the Mechanical Behavior of Zn4Sb3 Nanofilms
DOI:10.1007/s11664-011-1560-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Li, Guodong;Li, Yao;Yang, Xuqiu;Tong, Yu;Zhou, An;Liu, Lisheng;Zhai, Pengcheng;
19:12:70     Glass-like thermal conductivity of Nd2/3-xLi3xTiO3 bulk ceramics with nanochessboard superlattice structure
DOI:10.1016/j.matlet.2013.01.107  JN:MATERIALS LETTERS  PY:2013
  TC:0  AU: Ba, Yaoshuai;Wan, Chunlei;Wang, Yifeng;Norimatsu, Wataru;Kusunoki, Michiko;Koumoto, Kunihito;
19:12:71     Physical properties of thermoelectric zinc antimonide using first-principles calculations (vol 85, 224105, 2012)
DOI:10.1103/PhysRevB.86.019901  JN:PHYSICAL REVIEW B  PY:2012
  TC:0  AU: Jund, Philippe;Viennois, Romain;Tao, Xiaoma;Niedziolka, Kinga;Tedenac, Jean-Claude;
19:12:72     Thermoelectric Characterization of Zone-Melted and Quenched Zn4Sb3
DOI:10.1007/s11664-009-1044-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:4  AU: Stiewe, C.;Dasgupta, T.;Boettcher, L.;Pedersen, B.;Mueller, E.;Iversen, B.;
19:12:73     Fabrication of Bi2Te3/Sb2Te3 and Bi2Te3/Bi2Te2Se multilayered thin film-based integrated cooling devices
DOI:10.1116/1.3292600  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A  PY:2010
  TC:5  AU: Xiao, Z.;Hedgemen, K.;Harris, M.;DiMasi, E.;
19:13:1     Holey Silicon as an Efficient Thermoelectric Material
DOI:10.1021/nl102931z  JN:NANO LETTERS  PY:2010
  TC:187  AU: Tang, Jinyao;Wang, Hung-Ta;Lee, Dong Hyun;Fardy, Melissa;Huo, Ziyang;Russell, Thomas P.;Yang, Peidong;
19:13:2     Thermoelectric Nanostructures: From Physical Model Systems towards Nanograined Composites
DOI:10.1002/aenm.201100207  JN:ADVANCED ENERGY MATERIALS  PY:2011
  TC:83  AU: Nielsch, Kornelius;Bachmann, Julien;Kimling, Johannes;Boettner, Harald;
19:13:3     Reduction in the Thermal Conductivity of Single Crystalline Silicon by Phononic Crystal Patterning
DOI:10.1021/nl102918q  JN:NANO LETTERS  PY:2011
  TC:100  AU: Hopkins, Patrick E.;Reinke, Charles M.;Su, Mehmet F.;Olsson, Roy H., III;Shaner, Eric A.;Leseman, Zayd C.;Serrano, Justin R.;Phinney, Leslie M.;El-Kady, Ihab;
19:13:4     Effects of confinement and orientation on the thermoelectric power factor of silicon nanowires
DOI:10.1103/PhysRevB.83.245305  JN:PHYSICAL REVIEW B  PY:2011
  TC:26  AU: Neophytou, Neophytos;Kosina, Hans;
19:13:5     Thermal Transport in Nanoporous Silicon: Interplay between Disorder at Mesoscopic and Atomic Scales
DOI:10.1021/nn2003184  JN:ACS NANO  PY:2011
  TC:45  AU: He, Yuping;Donadio, Davide;Lee, Joo-Hyoung;Grossman, Jeffrey C.;Galli, Giulia;
19:13:6     Thermal transport in crystalline Si/Ge nano-composites: Atomistic simulations and microscopic models
DOI:10.1063/1.3688943  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:9  AU: Hao, Feng;Fang, Daining;Xu, Zhiping;
19:13:7     Extreme Low Thermal Conductivity in Nanoscale 3D Si Phononic Crystal with Spherical Pores
DOI:10.1021/nl403750s  JN:NANO LETTERS  PY:2014
  TC:12  AU: Yang, Lina;Yang, Nuo;Li, Baowen;
19:13:8     Morphology and Temperature Dependence of the Thermal Conductivity of Nanoporous SiGe
DOI:10.1021/nl201359q  JN:NANO LETTERS  PY:2011
  TC:24  AU: He, Yuping;Donadio, Davide;Galli, Giulia;
19:13:9     Optimizing thermoelectric power factor by means of a potential barrier
DOI:10.1063/1.4816792  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Neophytou, Neophytos;Kosina, Hans;
19:13:10     Simultaneous increase in electrical conductivity and Seebeck coefficient in highly boron-doped nanocrystalline Si
DOI:10.1088/0957-4484/24/20/205402  JN:NANOTECHNOLOGY  PY:2013
  TC:17  AU: Neophytou, Neophytos;Zianni, Xanthippi;Kosina, Hans;Frabboni, Stefano;Lorenzi, Bruno;Narducci, Dario;
19:13:11     Power Factor Enhancement by Inhomogeneous Distribution of Dopants in Two-Phase Nanocrystalline Systems
DOI:10.1007/s11664-013-2898-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Neophytou, Neophytos;Zianni, Xanthippi;Kosina, Hans;Frabboni, Stefano;Lorenzi, Bruno;Narducci, Dario;
19:13:12     Thermoelectric transport in periodic one-dimensional stacks of InAs/GaAs quantum dots
DOI:10.1103/PhysRevB.82.045318  JN:PHYSICAL REVIEW B  PY:2010
  TC:18  AU: Fomin, V. M.;Kratzer, P.;
19:13:13     Reduction of lattice thermal conductivity in one-dimensional quantum-dot superlattices due to phonon filtering
DOI:10.1103/PhysRevB.84.165415  JN:PHYSICAL REVIEW B  PY:2011
  TC:19  AU: Nika, D. L.;Pokatilov, E. P.;Balandin, A. A.;Fomin, V. M.;Rastelli, A.;Schmidt, O. G.;
19:13:14     Large thermoelectric power factor in p-type Si (110)/[110] ultra-thin-layers compared to differently oriented channels
DOI:10.1063/1.4737122  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:5  AU: Neophytou, Neophytos;Kosina, Hans;
19:13:15     Large Enhancement in Hole Velocity and Mobility in p-Type [110] and [111] Silicon Nanowires by Cross Section Scaling: An Atomistic Analysis
DOI:10.1021/nl102875k  JN:NANO LETTERS  PY:2010
  TC:22  AU: Neophytou, Neophytos;Kosina, Hans;
19:13:16     Computational study of the Seebeck coefficient of one-dimensional composite nano-structures
DOI:10.1063/1.3619855  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:13  AU: Kim, Raseong;Lundstrom, Mark S.;
19:13:17     On the bandstructure velocity and ballistic current of ultra-narrow silicon nanowire transistors as a function of cross section size, orientation, and bias
DOI:10.1063/1.3372764  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:17  AU: Neophytou, Neophytos;Kim, Sung Geun;Klimeck, Gerhard;Kosina, Hans;
19:13:18     Computational modeling and analysis of thermoelectric properties of nanoporous silicon
DOI:10.1063/1.4869734  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Li, H.;Yu, Y.;Li, G.;
19:13:19     Thermal characterization of nanoscale phononic crystals using supercell lattice dynamics
DOI:10.1063/1.3675798  JN:AIP ADVANCES  PY:2011
  TC:12  AU: Davis, Bruce L.;Hussein, Mahmoud I.;
19:13:20     Thermal transport in phononic crystals: The role of zone folding effect
DOI:10.1063/1.3699056  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:24  AU: Dechaumphai, Edward;Chen, Renkun;
19:13:21     Nanograin Effects on the Thermoelectric Properties of Poly-Si Nanowires
DOI:10.1007/s11664-012-2424-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Neophytou, N.;Zianni, X.;Ferri, M.;Roncaglia, A.;Cerofolini, G. F.;Narducci, D.;
19:13:22     Thermoelectric properties of porous silicon
DOI:10.1007/s00339-012-6879-5  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2012
  TC:4  AU: de Boor, J.;Kim, D. S.;Ao, X.;Becker, M.;Hinsche, N. F.;Mertig, I.;Zahn, P.;Schmidt, V.;
19:13:23     On the Interplay Between Electrical Conductivity and Seebeck Coefficient in Ultra-Narrow Silicon Nanowires
DOI:10.1007/s11664-011-1891-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Neophytou, Neophytos;Kosina, Hans;
19:13:24     Thermal conductivity prediction of nanoscale phononic crystal slabs using a hybrid lattice dynamics-continuum mechanics technique
DOI:10.1063/1.3675918  JN:AIP ADVANCES  PY:2011
  TC:9  AU: Reinke, Charles M.;Su, Mehmet F.;Davis, Bruce L.;Kim, Bongsang;Hussein, Mahmoud I.;Leseman, Zayd C.;Olsson, Roy H., III;El-Kady, Ihab;
19:13:25     Thermoelectric properties of highly doped n-type polysilicon inverse opals
DOI:10.1063/1.4758382  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Ma, Jun;Sinha, Sanjiv;
19:13:26     Nanophononic Metamaterial: Thermal Conductivity Reduction by Local Resonance
DOI:10.1103/PhysRevLett.112.055505  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:10  AU: Davis, Bruce L.;Hussein, Mahmoud I.;
19:13:27     Analysis of Thermoelectric Properties of Scaled Silicon Nanowires Using an Atomistic Tight-Binding Model
DOI:10.1007/s11664-009-1035-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:15  AU: Neophytou, Neophytos;Wagner, Martin;Kosina, Hans;Selberherr, Siegfried;
19:13:28     Paradoxical Enhancement of the Power Factor of Polycrystalline Silicon as a Result of the Formation of Nanovoids
DOI:10.1007/s11664-014-3170-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Lorenzi, B.;Narducci, D.;Tonini, R.;Frabboni, S.;Gazzadi, G. C.;Ottaviani, G.;Neophytou, N.;Zianni, X.;
19:13:29     Enhanced thermoelectric performance in CdO by nano-SiO2 inclusions
DOI:10.1088/0957-4484/25/42/425402  JN:NANOTECHNOLOGY  PY:2014
  TC:2  AU: Li, Longjiang;Liang, S.;Li, Shanming;Wang, Jianglong;Wang, Shufang;Dong, Guoyi;Fu, Guangsheng;
19:13:30     Cluster expansion and optimization of thermal conductivity in SiGe nanowires
DOI:10.1103/PhysRevB.81.174303  JN:PHYSICAL REVIEW B  PY:2010
  TC:7  AU: Chan, M. K. Y.;Reed, J.;Donadio, D.;Mueller, T.;Meng, Y. S.;Galli, G.;Ceder, G.;
19:13:31     Simple chemical solution deposition and thermoelectric properties of epitaxial La0.95Sr0.05CoO3 thin films
DOI:10.1016/j.matlet.2011.03.014  JN:MATERIALS LETTERS  PY:2011
  TC:2  AU: Zhang, Li;Li, Ping;Huang, Kai;Tang, Zhen;Liu, Guohong;Li, Yibao;
19:13:32     Giant Seebeck coefficient thermoelectric device of MnO2 powder
DOI:10.1088/0957-4484/23/8/085401  JN:NANOTECHNOLOGY  PY:2012
  TC:10  AU: Song, FangFang;Wu, Liming;Liang, S.;
19:13:33     Analytic many-body potential for InAs/GaAs surfaces and nanostructures: Formation energy of InAs quantum dots (vol 77, 235303, 2008)
DOI:10.1103/PhysRevB.81.159905  JN:PHYSICAL REVIEW B  PY:2010
  TC:5  AU: Hammerschmidt, T.;Kratzer, P.;Scheffler, M.;
19:13:34     Hole mobility increase in ultra-narrow Si channels under strong (110) surface confinement
DOI:10.1063/1.3631680  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:4  AU: Neophytou, Neophytos;Kosina, Hans;
19:13:35     Subband engineering for p-type silicon ultra-thin layers for increased carrier velocities: An atomistic analysis
DOI:10.1063/1.3556435  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:7  AU: Neophytou, Neophytos;Klimeck, Gerhard;Kosina, Hans;
19:13:36     Optical and mechanical mode tuning in an optomechanical crystal with light-induced thermal effects
DOI:10.1063/1.4894623  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Navarro-Urrios, D.;Gomis-Bresco, J.;Capuj, N. E.;Alzina, F.;Griol, A.;Puerto, D.;Martinez, A.;Sotomayor-Torres, C. M.;
19:13:37     Thermoelectric Properties of Scaled Silicon Nanowires Using the sp(3)d(5)s*-SO Atomistic Tight-Binding Model and Boltzmann Transport
DOI:10.1007/s11664-011-1542-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:4  AU: Neophytou, Neophytos;Kosina, Hans;
19:13:38     Monte Carlo Simulations of Thermal Conductivity in Nanoporous Si Membranes
DOI:10.1007/s11664-014-3324-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Wolf, Stefanie;Neophytou, Neophytos;Stanojevic, Zlatan;Kosina, Hans;
19:13:39     The fabrication of thermoelectric La0.95Sr0.05CoO3 nanofibers and Seebeck coefficient measurement
DOI:10.1088/0957-4484/21/39/395303  JN:NANOTECHNOLOGY  PY:2010
  TC:14  AU: Xu, Weihe;Shi, Yong;Hadim, Hamid;
19:13:40     Thermal conductivity of a ZnO nanowire/silica aerogel nanocomposite
DOI:10.1063/1.4804598  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Xie, Jing;Frachioni, Anthony;Williams, D. S.;White, B. E., Jr.;
19:13:41     Simulated thermal conductivity of silicon-based random multilayer thin films
DOI:10.1063/1.4733351  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:5  AU: Frachioni, Anthony;White, B. E., Jr.;
19:13:42     Nanovoid Formation and Dynamics in He+-Implanted Nanocrystalline Silicon
DOI:10.1007/s11664-014-3249-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Lorenzi, Bruno;Frabboni, Stefano;Gazzadi, Gian Carlo;Tonini, Rita;Ottaviani, Giampiero;Narducci, Dario;
19:13:43     Reducing the thermal conductivity of silicon by nanostructure patterning
DOI:10.1007/s00339-012-7417-1  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2013
  TC:1  AU: Wen, Y. W.;Liu, H. J.;Pan, L.;Tan, X. J.;Lv, H. Y.;Shi, J.;Tang, X. F.;
19:13:44     Phonon considerations in the reduction of thermal conductivity in phononic crystals
DOI:10.1007/s00339-010-6189-8  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2011
  TC:2  AU: Hopkins, P. E.;Phinney, L. M.;Rakich, P. T.;Olsson, R. H., III;El-Kady, I.;
19:13:45     Enhanced thermoelectric effect of carbon fiber reinforced cement composites by metallic oxide/cement interface
DOI:10.1016/j.ceramint.2014.01.024  JN:CERAMICS INTERNATIONAL  PY:2014
  TC:2  AU: Wei, Jian;Hao, Lei;He, Geping;Yang, Chunli;
19:13:46     Anisotropic charge and heat conduction through arrays of parallel elliptic cylinders in a continuous medium
DOI:10.1063/1.4799577  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Martin, James E.;Ribaudo, Troy;
19:13:47     Two-dimensional phononic crystals with time-varying properties: a multiple scattering analysis
DOI:10.1088/0964-1726/19/4/045006  JN:SMART MATERIALS & STRUCTURES  PY:2010
  TC:5  AU: Wright, D. W.;Cobbold, R. S. C.;
19:14:1     Oxide materials for high temperature thermoelectric energy conversion
DOI:10.1016/j.jeurceramsoc.2011.10.007  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2012
  TC:105  AU: Fergus, Jeffrey W.;
19:14:2     Oxide thermoelectrics: The challenges, progress, and outlook
DOI:10.1557/jmr.2011.108  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:56  AU: He, Jian;Liu, Yufei;Funahashi, Ryoji;
19:14:3     Large Thermoelectric Power Factor in Pr-Doped SrTiO3-delta Ceramics via Grain-Boundary-Induced Mobility Enhancement
DOI:10.1021/cm4040853  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:11  AU: Dehkordi, Arash Mehdizadeh;Bhattacharya, Sriparna;Darroudi, Taghi;Graff, Jennifer W.;Schwingenschloegl, Udo;Alshareef, Husam N.;Tritt, Terry M.;
19:14:4     Oxide Thermoelectric Materials: A Structure-Property Relationship
DOI:10.1007/s11664-014-3024-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:5  AU: Nag, Abanti;Shubha, V.;
19:14:5     Major enhancement of the thermoelectric performance in Pr/Nb-doped SrTiO3 under strain
DOI:10.1063/1.4815928  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:5  AU: Amin, B.;Singh, N.;Tritt, T. M.;Alshareef, H. N.;Schwingenschloegl, U.;
19:14:6     Enhancement of thermoelectric figure of merit by doping Dy in La0.1Sr0.9TiO3 ceramic
DOI:10.1016/j.materresbull.2010.03.018  JN:MATERIALS RESEARCH BULLETIN  PY:2010
  TC:26  AU: Wang, H. C.;Wang, C. L.;Su, W. B.;Liu, J.;Zhao, Y.;Peng, H.;Zhang, J. L.;Zhao, M. L.;Li, J. C.;Yin, N.;Mei, L. M.;
19:14:7     Improvement of thermoelectric properties of WO3 ceramics by ZnO addition
DOI:10.1016/j.jallcom.2012.03.022  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:9  AU: Wang, Haiqing;Dong, Xiang;Peng, Shujie;Dong, Liang;Wang, Yu;
19:14:8     High-temperature thermoelectric response of double-doped SrTiO3 epitaxial films
DOI:10.1103/PhysRevB.82.165126  JN:PHYSICAL REVIEW B  PY:2010
  TC:18  AU: Ravichandran, J.;Siemons, W.;Oh, D. -W.;Kardel, J. T.;Chari, A.;Heijmerikx, H.;Scullin, M. L.;Majumdar, A.;Ramesh, R.;Cahill, D. G.;
19:14:9     Enhanced thermoelectric properties of Nb-doped SrTiO3 polycrystalline ceramic by titanate nanotube addition
DOI:10.1016/j.jallcom.2010.06.195  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:16  AU: Wang, Ning;He, Hongcai;Li, Xiao;Han, Li;Zhang, Chunqiu;
19:14:10     Electronic transport properties of SrTiO3 and its alloys: Sr1-xLaxTiO3 and SrTi1-xMxO3 (M = Nb, Ta)
DOI:10.1103/PhysRevB.82.155114  JN:PHYSICAL REVIEW B  PY:2010
  TC:18  AU: Kinaci, A.;Sevik, C.;Cagin, T.;
19:14:11     High-temperature thermoelectric performance of Ca0.96Dy0.02RE0.02MnO3 ceramics (RE = Ho, Er, Tm)
DOI:10.1016/j.ceramint.2014.07.028  JN:CERAMICS INTERNATIONAL  PY:2014
  TC:3  AU: Zhu, Yuanhu;Wang, Chunlei;Su, Wenbin;Li, Jichao;Liu, Jian;Du, Yanling;Mei, Liangmo;
19:14:12     Enhanced thermoelectric performance of highly dense and fine-grained (Sr1-xGdx)TiO3-delta ceramics synthesized by sol-gel process and spark plasma sintering
DOI:10.1016/j.jallcom.2013.11.116  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Li, Liangliang;Liu, Yongfei;Qin, Xiaoying;Li, Di;Zhang, Jian;Song, Chunjun;Wang, Ling;
19:14:13     Doping Effect of La and Dy on the Thermoelectric Properties of SrTiO3
DOI:10.1111/j.1551-2916.2010.04185.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2011
  TC:29  AU: Wang, Hong Chao;Wang, Chun Lei;Su, Wen Bin;Liu, Jian;Sun, Yi;Peng, Hua;Mei, Liang Mo;
19:14:14     Influence of rare earth doping on thermoelectric properties of SrTiO3 ceramics
DOI:10.1063/1.4847455  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:11  AU: Liu, J.;Wang, C. L.;Li, Y.;Su, W. B.;Zhu, Y. H.;Li, J. C.;Mei, L. M.;
19:14:15     Doping site dependent thermoelectric properties of epitaxial strontium titanate thin films
DOI:10.1039/c4tc01723d  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2014
  TC:0  AU: Abutaha, A. I.;Kumar, S. R. Sarath;Dehkordi, Arash Mehdizadeh;Tritt, Terry M.;Alshareef, H. N.;
19:14:16     A large thermoelectric figure of merit of La-doped SrTiO3 prepared by combustion synthesis with post-spark plasma sintering
DOI:10.1016/j.scriptamat.2010.04.041  JN:SCRIPTA MATERIALIA  PY:2010
  TC:23  AU: Kikuchi, A.;Okinaka, N.;Akiyama, T.;
19:14:17     Sri(1-x)La(x)TiO(3) nanoparticles: Synthesis, characterization and enhanced thermoelectric response
DOI:10.1016/j.scriptamat.2011.03.037  JN:SCRIPTA MATERIALIA  PY:2011
  TC:11  AU: Wang, Yang;Fan, Hong Jin;
19:14:18     Effect of Ni substitution on electrical and thermoelectric properties of LaCoO3 ceramics
DOI:10.1016/j.ceramint.2010.08.024  JN:CERAMICS INTERNATIONAL  PY:2011
  TC:24  AU: Li, Fu;Li, Jing-Feng;
19:14:19     High-temperature thermoelectric properties of Cd1-xPrxO ceramics
DOI:10.1016/j.scriptamat.2013.06.018  JN:SCRIPTA MATERIALIA  PY:2013
  TC:4  AU: Wang, Shufang;Lu, Qing;Li, Longjiang;Fu, Guangsheng;Liu, Fuqiang;Dai, Shouyu;Yu, Wei;Wang, Jianglong;
19:14:20     High-Temperature Thermoelectric Behaviors of Fine-Grained Gd-Doped CaMnO3 Ceramics
DOI:10.1111/j.1551-2916.2010.03673.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2010
  TC:22  AU: Lan, Jinle;Lin, Yuan-Hua;Fang, Hui;Mei, Ao;Nan, Ce-Wen;Liu, Yong;Xu, Shaoliang;Peters, Matthew;
19:14:21     Influence of Dy/Bi dual doping on thermoelectric performance of CaMnO3 ceramics
DOI:10.1016/j.matchemphys.2014.01.006  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2014
  TC:5  AU: Zhu, Yuanhu;Wang, Chunlei;Wang, Hongchao;Su, Wenbin;Liu, Jian;Li, Jichao;
19:14:22     Modeling the transport properties of epitaxially grown thermoelectric oxide thin films using spectroscopic ellipsometry
DOI:10.1063/1.3678186  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:4  AU: Kumar, S. R. Sarath;Abutaha, Anas I.;Hedhili, M. N.;Alshareef, H. N.;
19:14:23     Effect of La2O3 on high-temperature thermoelectric properties of WO3
DOI:10.1016/j.jallcom.2013.07.052  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:2  AU: Dong, Xiang;Gan, Yingjie;Wang, Yu;Peng, Shujie;Dong, Liang;
19:14:24     Enhancement of thermoelectric performance in strontium titanate by praseodymium substitution
DOI:10.1063/1.4790307  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:12  AU: Kovalevsky, A. V.;Yaremchenko, A. A.;Populoh, S.;Weidenkaff, A.;Frade, J. R.;
19:14:25     Engineering Efficient Thermoelectrics from Large-Scale Assemblies of Doped ZnO Nanowires: Nanoscale Effects and Resonant-Level Scattering
DOI:10.1021/am5023489  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:3  AU: Brockway, Lance;Vasiraju, Venkata;Sunkara, Mahendra K.;Vaddiraju, Sreeram;
19:14:26     Thermoelectric properties of Sr1-xNdxTiO3 ceramics
DOI:10.1016/j.jallcom.2009.11.165  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:14  AU: Liu, J.;Wang, C. L.;Su, W. B.;Wang, H. C.;Li, J. C.;Zhang, J. L.;Mei, L. M.;
19:14:27     Preparation and Thermoelectric Properties of La-Doped SrTiO3 Ceramics
DOI:10.1007/s11664-010-1452-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:15  AU: Shang, Peng-Peng;Zhang, Bo-Ping;Liu, Yong;Li, Jing-Feng;Zhu, Hong-Min;
19:14:28     Thermoelectric Properties of Dy-Doped SrTiO3 Ceramics
DOI:10.1007/s11664-012-2219-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:8  AU: Liu, J.;Wang, C. L.;Peng, H.;Su, W. B.;Wang, H. C.;Li, J. C.;Zhang, J. L.;Mei, L. M.;
19:14:29     Influence of excess SrO on the thermoelectric properties of heavily doped SrTiO3 ceramics
DOI:10.1063/1.4804372  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:1  AU: Wang, Yifeng;Wan, Chunlei;Zhang, Xiaoyan;Shen, Liming;Koumoto, Kunihito;Gupta, Arunava;Bao, Ningzhong;
19:14:30     Effect of CeO2 on the thermoelectric properties of WO3-based ceramics
DOI:10.1016/j.ceramint.2011.08.041  JN:CERAMICS INTERNATIONAL  PY:2012
  TC:9  AU: Wang, Haiqing;Hua, Zhongqiu;Peng, Shujie;Dong, Xiang;Dong, Liang;Wang, Yu;
19:14:31     Effect of boron-doping on thermoelectric properties of rutile-type titanium dioxide sintered materials
DOI:10.1016/j.jallcom.2010.08.125  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:13  AU: Kitagawa, Hiroyuki;Kunisada, Toshimitsu;Yamada, Yasuji;Kubo, Shugo;
19:14:32     Effects of mesoporous silica addition on thermoelectric properties of Nb-doped SrTiO3
DOI:10.1016/j.jallcom.2010.03.049  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:16  AU: Wang, Ning;Han, Li;He, Hongcai;Ba, Yaoshuai;Koumoto, Kunihito;
19:14:33     Thermoelectric properties of the electron-doped perovskites Sr1-xCaxTi1-yNbyO3
DOI:10.1103/PhysRevB.85.075112  JN:PHYSICAL REVIEW B  PY:2012
  TC:8  AU: Fukuyado, J.;Narikiyo, K.;Akaki, M.;Kuwahara, H.;Okuda, T.;
19:14:34     Significant enhancement in thermoelectric properties of polycrystalline Pr-doped SrTiO3-delta ceramics originating from nonuniform distribution of Pr dopants
DOI:10.1063/1.4875925  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:4  AU: Dehkordi, Arash Mehdizadeh;Bhattacharya, Sriparna;He, Jian;Alshareef, Husam N.;Tritt, Terry M.;
19:14:35     Synthesis and thermoelectric performance of Ta doped Sr0.9La0.1TiO3 ceramics
DOI:10.1016/j.ceramint.2011.04.004  JN:CERAMICS INTERNATIONAL  PY:2011
  TC:9  AU: Wang, H. C.;Wang, C. L.;Su, W. B.;Liu, J.;Peng, H.;Sun, Y.;Zhang, J. L.;Zhao, M. L.;Li, J. C.;Yin, N.;Mei, L. M.;
19:14:36     Improvement of Thermoelectric Performance for Sb-Doped SnO2 Ceramics Material by Addition of Cu as Sintering Additive
DOI:10.1007/s11664-014-3227-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Tsubota, Toshiki;Kobayashi, Shogo;Murakami, Naoya;Ohno, Teruhisa;
19:14:37     Synthesis of Dy doped Yb0.1Ca0.9MnO3 ceramics with a high relative density and their thermoelectric properties
DOI:10.1016/j.materresbull.2012.05.061  JN:MATERIALS RESEARCH BULLETIN  PY:2012
  TC:3  AU: Wang, Hongchao;Wang, Chunlei;
19:14:38     Theoretical Enhancement of Thermoelectric Properties of Sr1-xLaxTiO3
DOI:10.1080/10584587.2014.905364  JN:INTEGRATED FERROELECTRICS  PY:2014
  TC:1  AU: Singsoog, Kunchit;Seetawan, Tosawat;Vora-Ud, Athon;Thanachayanont, Chanchana;
19:14:39     The effect of Er3+ doping on the structure and thermoelectric properties of CdO ceramics
DOI:10.1016/j.jeurceramsoc.2013.02.025  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2013
  TC:3  AU: Wang, Shufang;Liu, Fuqiang;Lu, Qing;Dai, Shouyu;Wang, Jianglong;Yu, Wei;Fu, Guangsheng;
19:14:40     Effects of YSZ Additions on Thermoelectric Properties of Nb-Doped Strontium Titanate
DOI:10.1007/s11664-010-1144-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:10  AU: Wang, Ning;Li, Huawei;Ba, Yaoshuai;Wang, Yifeng;Wan, Chunlei;Fujinami, Kyoichi;Koumoto, Kunihito;
19:14:41     Thermoelectric Properties of SnO2 Ceramics Doped with Sb and Zn
DOI:10.1007/s11664-010-1506-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:10  AU: Yanagiya, S.;Nong, N. V.;Xu, J.;Sonne, M.;Pryds, N.;
19:14:42     Laser energy tuning of carrier effective mass and thermopower in epitaxial oxide thin films
DOI:10.1063/1.4704183  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:1  AU: Abutaha, A. I.;Kumar, S. R. Sarath;Alshareef, H. N.;
19:14:43     Thermoelectric Performance of SrTiO3 Enhanced by Nanostructuring-Self-Assembled Particulate Film of Nanocubes
DOI:10.1021/am403112n  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2013
  TC:4  AU: Dang, Feng;Wan, Chunlei;Park, Nam-Hee;Tsuruta, Kazuki;Seo, Won-Seon;Koumoto, Kunihito;
19:14:44     Synthesis and thermoelectric performance of Li-doped NiO ceramics
DOI:10.1016/j.ceramint.2012.02.099  JN:CERAMICS INTERNATIONAL  PY:2012
  TC:5  AU: Liu, Shaohui;Wang, Jiao;Jia, Jianfeng;Hu, Xing;Liu, Shijiang;
19:14:45     Thermoelectric properties of Yb-doped La0.1Sr0.9TiO3 ceramics at high temperature
DOI:10.1016/j.ceramint.2012.07.009  JN:CERAMICS INTERNATIONAL  PY:2013
  TC:5  AU: Wang, Hongchao;Wang, Chunlei;
19:14:46     Yttrium-doped effect on thermoelectric properties of La0.1Sr0.9TiO3 ceramics
DOI:10.1007/s10853-011-5466-z  JN:JOURNAL OF MATERIALS SCIENCE  PY:2011
  TC:5  AU: Sun, Y.;Wang, C. L.;Wang, H. C.;Peng, H.;Guo, F. Q.;Su, W. B.;Liu, J.;Li, J. C.;Mei, L. M.;
19:14:47     Enhancement of thermoelectric efficiency in (Ca, Dy)MnO3-(Ca, Yb)MnO3 solid solutions
DOI:10.1063/1.3477959  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:7  AU: Wang, Yang;Sui, Yu;Wang, Xianjie;Su, Wenhui;
19:14:48     Thermoelectric properties of Sr and Mg double-substituted LaCoO3 at room temperature
DOI:10.1016/j.ceramint.2014.04.123  JN:CERAMICS INTERNATIONAL  PY:2014
  TC:1  AU: Jiamprasertboon, Arreerat;Okamoto, Yoshihiko;Hiroi, Zenji;Siritanon, Theeranun;
19:14:49     Fabrication of (Ca1-xLax)MnO3 Ceramics with a High Relative Density and their Power Factor
DOI:10.1111/j.1551-2916.2010.03987.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2010
  TC:6  AU: Taguchi, Hideki;Kugi, Toshihisa;Kato, Masaki;Hirota, Ken;
19:14:50     Transport and thermoelectric properties of Sr-3(Ti0.95R0.05)(2)O-7 (R = Ta, Nb, W) oxides
DOI:10.1063/1.4769787  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Sun, R. R.;Qin, X. Y.;Li, L. L.;Li, D.;Wang, N. N.;Zhang, J.;Wang, Q. Q.;
19:14:51     Thermoelectric Properties of Y1-x Ag (x) BaCo4O7+delta Ceramics
DOI:10.1007/s11664-013-2631-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: He, Q. L.;Zhang, J.;Gao, F.;Wu, F.;Hu, X.;Song, H. Z.;
19:14:52     Thermopower and chemical stability of Na0.77CoO2/Ca3Co4O9 composites
DOI:10.1016/j.actamat.2013.10.011  JN:ACTA MATERIALIA  PY:2014
  TC:3  AU: Chen, Cong;Zhang, Tianshu;Donelson, Richard;Chu, Dewei;Tian, Ruoming;Tan, Thiam Teck;Li, Sean;
19:14:53     Enhanced Thermoelectric Properties of Textured Ca3Co4O9 Thick Film by Aerosol Deposition
DOI:10.1111/j.1551-2916.2010.03674.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2010
  TC:9  AU: Yoon, Woon-Ha;Ryu, Jungho;Choi, Jong-Jin;Hahn, Byung-Dong;Choi, Joon Hwan;Lee, Byoung-Kuk;Cho, Jae-Hyung;Park, Dong-Soo;
19:14:54     Seebeck coefficient and electrical conductivity of mesoscopic nanocrystalline SrTiO3
DOI:10.1007/s10853-012-6894-0  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:3  AU: Gregori, G.;Heinze, S.;Lupetin, P.;Habermeier, H. -U.;Maier, J.;
19:14:55     High-temperature thermoelectric properties of Ca0.9Y0.1Mn1-xFexO3 (0 <= x <= 0.25)
DOI:10.1007/s10853-012-6834-z  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:1  AU: Le Thanh Hung;Ngo Van Nong;Han, Li;Dang Le Minh;Borup, Kasper A.;Iversen, Bo B.;Pryds, Nini;Linderoth, Soren;
19:14:56     Investigation of the structure and the magnetic behavior of nanostructure Ca1-xGdxMnO3 (x=0.05; 0.1; 0.15; 0.2) obtained by modified glycine nitrate procedure
DOI:10.1016/j.ceramint.2012.08.033  JN:CERAMICS INTERNATIONAL  PY:2013
  TC:4  AU: Rosic, Milena;Logar, Mihovil;Zagorac, Jelena;Devecerski, Aleksandar;Egelja, Adela;Kusigerski, Vladan;Spasojevic, Vojislav;Matovic, Branko;
19:14:57     Thermoelectric Efficiency of Reduced SrTiO3 Ceramics Modified with La and Nb
DOI:10.1111/jace.12379  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2013
  TC:4  AU: Teranishi, Takashi;Ishikawa, Yusuke;Hayashi, Hidetaka;Kishimoto, Akira;Katayama, Misaki;Inada, Yasuhiro;
19:15:1     Thermoelectric Property Studies on Cu-Doped n-type CuxBi2Te2.7Se0.3 Nanocomposites
DOI:10.1002/aenm.201100149  JN:ADVANCED ENERGY MATERIALS  PY:2011
  TC:85  AU: Liu, Wei-Shu;Zhang, Qinyong;Lan, Yucheng;Chen, Shuo;Yan, Xiao;Zhang, Qian;Wang, Hui;Wang, Dezhi;Chen, Gang;Ren, Zhifeng;
19:15:2     Enhanced Thermopower via Carrier Energy Filtering in Solution-Processable Pt-Sb2Te3 Nanocomposites
DOI:10.1021/nl2012246  JN:NANO LETTERS  PY:2011
  TC:62  AU: Ko, Dong-Kyun;Kang, Yijin;Murray, Christopher B.;
19:15:3     Design Principle of Telluride-Based Nanowire Heterostructures for Potential Thermoelectric Applications
DOI:10.1021/nl301327d  JN:NANO LETTERS  PY:2012
  TC:39  AU: Zhang, Genqiang;Fang, Haiyu;Yang, Haoran;Jauregui, Luis A.;Chen, Yong P.;Wu, Yue;
19:15:4     Enhancement in Thermoelectric Figure of Merit in Nanostructured Bi2Te3 with Semimetal Nanoinclusions
DOI:10.1002/aenm.201100338  JN:ADVANCED ENERGY MATERIALS  PY:2011
  TC:42  AU: Sumithra, S.;Takas, Nathan J.;Misra, Dinesh K.;Nolting, Westly M.;Poudeu, P. F. P.;Stokes, Kevin L.;
19:15:5     Telluride nanowire and nanowire heterostructure-based thermoelectric energy harvesting
DOI:10.1039/c3ta14129b  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:3  AU: Fang, Haiyu;Wu, Yue;
19:15:6     Enhanced thermoelectric performance in n-type Bi2Te2.994Cl0.006/In2Te3 composite
DOI:10.1016/j.jallcom.2013.02.039  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:5  AU: Zhai, Yongbiao;Zhang, Ting;Xiao, Yukun;Jiang, Jun;Yang, Shenghui;Xu, Gaojie;
19:15:7     Preparation of 1-D/3-D structured AgNWs/Bi2Te3 nanocomposites with enhanced thermoelectric properties
DOI:10.1016/j.actamat.2014.03.070  JN:ACTA MATERIALIA  PY:2014
  TC:7  AU: Zhang, Qihao;Ai, Xin;Wang, Weijie;Wang, Lianjun;Jiang, Wan;
19:15:8     Interface Driven Energy Filtering of Thermoelectric Power in Spark Plasma Sintered Bi2Te2.7Se0.3 Nanoplatelet Composites
DOI:10.1021/nl302017w  JN:NANO LETTERS  PY:2012
  TC:26  AU: Soni, Ajay;Shen, Yiqiang;Yin, Ming;Zhao, Yanyuan;Yu, Ligen;Hu, Xiao;Dong, Zhili;Khor, Khiam Aik;Dresselhaus, Mildred S.;Xiong, Qihua;
19:15:9     Thermoelectric Properties of Silver Telluride-Bismuth Telluride Nanowire Heterostructure Synthesized by Site-Selective Conversion
DOI:10.1021/cm501188c  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:5  AU: Fang, Haiyu;Yang, Haoran;Wu, Yue;
19:15:10     Epitaxial Growth of Shape-Controlled Bi2Te3-Te Heterogeneous Nanostructures
DOI:10.1021/ja108186w  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2010
  TC:42  AU: Wang, Wenshou;Goebl, James;He, Le;Aloni, Shaul;Hu, Yongxing;Zhen, Liang;Yin, Yadong;
19:15:11     Thermoelectric transport properties of bismuth telluride bulk materials fabricated by ball milling and spark plasma sintering
DOI:10.1016/j.jallcom.2010.02.171  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:25  AU: Kuo, Chia-Hung;Hwang, Chii-Shyang;Jeng, Ming-Shan;Su, Wei-Sheng;Chou, Ya-Wen;Ku, Jie-Ren;
19:15:12     Environmentally Benign Synthesis of Ultrathin Metal Telluride Nanowires
DOI:10.1021/ja505304v  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:1  AU: Yang, Haoran;Finefrock, Scott W.;Caballero, Jonatan D. Albarracin;Wu, Yue;
19:15:13     Metal nanoparticle decorated n-type Bi2Te3-based materials with enhanced thermoelectric performances
DOI:10.1088/0957-4484/24/28/285702  JN:NANOTECHNOLOGY  PY:2013
  TC:14  AU: Wang, Shanyu;Li, Han;Lu, Ruiming;Zheng, Gang;Tang, Xinfeng;
19:15:14     Enhanced thermoelectric properties of n-type Bi2Te3-based nanocomposite fabricated by spark plasma sintering
DOI:10.1016/j.jallcom.2011.01.155  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:18  AU: Li, Fei;Huang, Xiangyang;Sun, Zhengliang;Ding, Juan;Jiang, Jun;Jiang, Wan;Chen, Lidong;
19:15:15     Synthesis and Thermoelectric Properties of Compositional-Modulated Lead Telluride-Bismuth Telluride Nanowire Heterostructures
DOI:10.1021/nl400319u  JN:NANO LETTERS  PY:2013
  TC:20  AU: Fang, Haiyu;Feng, Tianli;Yang, Haoran;Ruan, Xiulin;Wu, Yue;
19:15:16     Composition Modulation of Ag2Te Nanowires for Tunable Electrical and Thermal Properties
DOI:10.1021/nl502551c  JN:NANO LETTERS  PY:2014
  TC:12  AU: Yang, Haoran;Bahk, Je-Hyeong;Day, Tristan;Mohammed, Amr M. S.;Min, Bokki;Snyder, G. Jeffrey;Shakouri, Ali;Wu, Yue;
19:15:17     Embedded Ag-rich nanodots in PbTe: Enhancement of thermoelectric properties through energy filtering of the carriers
DOI:10.1063/1.3488621  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:30  AU: Paul, Biplab;Kumar, Ajay, V;Banerji, P.;
19:15:18     Enhanced thermoelectric performance in n-type Bi2Te2.95Se0.05 bulks fabricated by high pressure sintering technique
DOI:10.1016/j.materresbull.2014.09.057  JN:MATERIALS RESEARCH BULLETIN  PY:2014
  TC:0  AU: Zou, Ping;Xu, Guiying;Wang, Song;
19:15:19     Enhanced Thermoelectric Properties in Bulk Nanowire Heterostructure-Based Nanocomposites through Minority Carrier Blocking
DOI:10.1021/nl504624r  JN:NANO LETTERS  PY:2015
  TC:1  AU: Yang, Haoran;Bahk, Je-Hyeong;Day, Tristan;Mohammed, Amr M. S.;Snyder, G. Jeffrey;Shakouri, Ali;Wu, Yue;
19:15:20     Enhanced thermoelectric properties of n-type Bi2Te2.7Se0.3 thin films through the introduction of Pt nanoinclusions by pulsed laser deposition
DOI:10.1016/j.nanoen.2014.06.011  JN:NANO ENERGY  PY:2014
  TC:2  AU: Sun, Ting;Samani, Majid Kabiri;Khosravian, Narjes;Ang, Kok Ming;Yan, Qingyu;Tay, Beng Kang;Hng, Huey Hoon;
19:15:21     Surfactant-assisted solvothermal synthesis of single-crystalline ternary Bi-Sb-Te hexagonal nanoplates
DOI:10.1016/j.jallcom.2010.04.056  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:10  AU: Ren, Weili;Cheng, Chunxia;Xu, Yongbin;Ren, Zhongming;Zhong, Yunbo;
19:15:22     Understanding of the contact of nanostructured thermoelectric n-type Bi2Te2.7Se0.3 legs for power generation applications
DOI:10.1039/c3ta13456c  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:3  AU: Liu, Weishu;Wang, Hengzhi;Wang, Lijuan;Wang, Xiaowei;Joshi, Giri;Chen, Gang;Ren, Zhifeng;
19:15:23     Cu(2-x)Te nanowires synthesized by a microwave-assisted solvothermal method using a self-sacrificial template and their electrical conductivity
DOI:10.1016/j.matlet.2012.02.077  JN:MATERIALS LETTERS  PY:2012
  TC:7  AU: Dong, Guo-Hui;Zhu, Ying-Jie;Cheng, Guo-Feng;Ruan, Yin-Jie;
19:15:24     Synthesis and characterization of carbon nanotube supported Bi2Te3 nanocrystals
DOI:10.1016/j.jallcom.2010.01.024  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:8  AU: Zhou, Lina;Zhang, Xiaobin;Zhao, Xinbing;Sun, Chenxi;Niu, Qiang;
19:15:25     Transport properties of Ni, Co, Fe, Mn doped Cu0.01Bi2Te2.7Se0.3 for thermoelectric device applications
DOI:10.1063/1.4749806  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Lukas, K. C.;Liu, W. S.;Ren, Z. F.;Opeil, C. P.;
19:15:26     Preparation and Thermoelectric Properties of Doped Bi2Te3-Bi2Se3 Solid Solutions
DOI:10.1007/s11664-013-2822-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Lee, Go-Eun;Kim, Il-Ho;Lim, Young Soo;Seo, Won-Seon;Choi, Byeong-Jun;Hwang, Chang-Won;
19:15:27     Tri-wing bismuth telluride nanoribbons with quasi-periodic rough surfaces
DOI:10.1039/c1jm11715g  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:5  AU: Zhu, Hang-Tian;Luo, Jun;Fan, Hai-Ming;Zhang, He;Liang, Jing-Kui;Rao, Guang-Hui;Li, Jing-Bo;Liu, Guang-Yao;Du, Zhen-Min;
19:15:28     Reactivity, stability and thermoelectric properties of n-Bi2Te3 doped with different copper amounts
DOI:10.1016/j.jallcom.2014.04.166  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Lognone, Quentin;Gascoin, Franck;
19:15:29     Rational design and controlled synthesis of Te/Bi2Te3 heterostructure nanostring composites
DOI:10.1016/j.jcrysgro.2015.04.002  JN:JOURNAL OF CRYSTAL GROWTH  PY:2015
  TC:0  AU: Zhang, Yuzhuo;Chen, Hong;Li, Zhiliang;Huang, Ting;Zheng, Shuqi;
19:15:30     Unconventional Thin-Film Thermoelectric Converters: Structure, Simulation, and Comparative Study
DOI:10.1007/s11664-014-2982-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Haras, Maciej;Lacatena, Valeria;Monfray, Stephane;Robillard, Jean-Francois;Skotnicki, Thomas;Dubois, Emmanuel;
19:15:31     Experimental determination of the Lorenz number in Cu0.01Bi2Te2.7Se0.3 and Bi0.88Sb0.12
DOI:10.1103/PhysRevB.85.205410  JN:PHYSICAL REVIEW B  PY:2012
  TC:1  AU: Lukas, K. C.;Liu, W. S.;Joshi, G.;Zebarjadi, M.;Dresselhaus, M. S.;Ren, Z. F.;Chen, G.;Opeil, C. P.;
19:15:32     Interface Microstructure and Performance of Sb Contacts in Bismuth Telluride-Based Thermoelectric Elements
DOI:10.1007/s11664-013-2566-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Li, Fei;Huang, Xiangyang;Jiang, Wan;Chen, Lidong;
19:15:33     Enhanced Seebeck coefficient of bismuth telluride compounds with graded doping profiles
DOI:10.1063/1.4825369  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Huang, Hung-Hsien;Lu, Meng-Pei;Chiu, Chien-Hao;Su, Lin-Chieh;Liao, Chien-Neng;Huang, Jing-Yi;Hsieh, Huey-Lin;
19:15:34     Effect of Phase Transition on the Thermoelectric Properties of Ag2Te
DOI:10.2320/matertrans.E-M2012815  JN:MATERIALS TRANSACTIONS  PY:2012
  TC:6  AU: Jung, Do-Young;Kurosaki, Ken;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:16:1     Effects of nanoscale porosity on thermoelectric properties of SiGe
DOI:10.1063/1.3388076  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:56  AU: Lee, Hohyun;Vashaee, Daryoosh;Wang, D. Z.;Dresselhaus, Mildred S.;Ren, Z. F.;Chen, Gang;
19:16:2     Mechanical properties of filled antimonide skutterudites
DOI:10.1016/j.mseb.2010.02.022  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2010
  TC:39  AU: Zhang, L.;Rogl, G.;Grytsiv, A.;Puchegger, S.;Koppensteiner, J.;Spieckermann, F.;Kabelka, H.;Reinecker, M.;Rogl, P.;Schranz, W.;Zehetbauer, M.;Carpenter, M. A.;
19:16:3     Fracture mode, microstructure and temperature-dependent elastic moduli for thermoelectric composites of PbTe-PbS with SiC nanoparticle additions
DOI:10.1080/14786435.2013.833354  JN:PHILOSOPHICAL MAGAZINE  PY:2013
  TC:1  AU: Ni, Jennifer E.;Case, Eldon D.;Schmidt, Robert D.;Wu, Chun-I;Hogan, Timothy P.;Trejo, Rosa M.;Lara-Curzio, Edgar;Kanatzidis, Mercouri G.;
19:16:4     Room temperature Young's modulus, shear modulus, Poisson's ratio and hardness of PbTe-PbS thermoelectric materials
DOI:10.1016/j.mseb.2010.02.026  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2010
  TC:28  AU: Ni, Jennifer E.;Case, Eldon D.;Khabir, Kristen N.;Stewart, Ryan C.;Wu, Chun-I.;Hogan, Timothy P.;Timm, Edward J.;Girard, Steven N.;Kanatzidis, Mercouri G.;
19:16:5     Influence of silver nanoparticle addition, porosity, and processing technique on the mechanical properties of Ba0.3Co4Sb12 skutterudites
DOI:10.1007/s10853-014-8427-5  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:1  AU: Schmidt, Robert D.;Case, Eldon D.;Lobo, Zayra;Thompson, Travis R.;Sakamoto, Jeffrey S.;Zhou, Xiao-Yuan;Uher, Ctirad;
19:16:6     Room temperature hardness of gadolinia-doped ceria as a function of porosity
DOI:10.1007/s10853-013-7506-3  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:1  AU: Fan, Xiaofeng;Case, Eldon D.;Yang, Qing;Nicholas, Jason D.;
19:16:7     Temperature-dependent Young's modulus, shear modulus and Poisson's ratio of p-type Ce0.9Fe3.5Co0.5Sb12 and n-type Co0.95Pd0.05Te0.05Sb3 skutterudite thermoelectric materials
DOI:10.1080/14786435.2011.634847  JN:PHILOSOPHICAL MAGAZINE  PY:2012
  TC:7  AU: Schmidt, Robert D.;Case, Eldon D.;Ni, Jennifer E.;Sakamoto, Jeffrey S.;Trejo, Rosa M.;Lara-Curzio, Edgar;
19:16:8     Microstructure and mechanical properties of thermoelectric nanostructured n-type silicon-germanium alloys synthesized employing spark plasma sintering
DOI:10.1063/1.4892879  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Bathula, Sivaiah;Gahtori, Bhasker;Jayasimhadri, M.;Tripathy, S. K.;Tyagi, Kriti;Srivastava, A. K.;Dhar, Ajay;
19:16:9     Room temperature elastic properties of gadolinia-doped ceria as a function of porosity
DOI:10.1016/j.ceramint.2013.02.022  JN:CERAMICS INTERNATIONAL  PY:2013
  TC:4  AU: Fan, Xiaofeng;Case, Eldon D.;Yang, Qing;Nicholas, Jason D.;
19:16:10     Room temperature Young's modulus, shear modulus, and Poisson's ratio of Ce0.9Fe3.5Co0.5Sb12 and Co0.95Pd0.05Te0.05Sb3 skutterudite materials
DOI:10.1016/j.jallcom.2010.06.003  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:19  AU: Schmidt, Robert D.;Ni, Jennifer E.;Case, Eldon D.;Sakamoto, Jeffery S.;Kleinow, Daniel C.;Wing, Bradley L.;Stewart, Ryan C.;Timm, Edward J.;
19:16:11     The thermal expansion coefficient as a key design parameter for thermoelectric materials and its relationship to processing-dependent bloating
DOI:10.1007/s10853-013-7421-7  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:3  AU: Ni, Jennifer E.;Case, Eldon D.;Schmidt, Robert D.;Wu, Chun-I;Hogan, Timothy P.;Trejo, Rosa M.;Kirkham, Melanie J.;Lara-Curzio, Edgar;Kanatzidis, Mercouri G.;
19:16:12     The temperature dependence of thermal expansion for p-type Ce0.9Fe3.5Co0.5Sb12 and n-type Co0.95Pd0.05Te0.05Sb3 skutterudite thermoelectric materials
DOI:10.1080/14786435.2011.644815  JN:PHILOSOPHICAL MAGAZINE  PY:2012
  TC:3  AU: Schmidt, Robert D.;Case, Eldon D.;Ni, Jennifer E.;Sakamoto, Jeffrey S.;Trejo, Rosa M.;Lara-Curzio, Edgar;Payzant, E. Andrew;Kirkham, Melanie J.;Peascoe-Meisner, Roberta A.;
19:16:13     Thermal Fatigue and Waste Heat Recovery via Thermoelectrics
DOI:10.1007/s11664-012-2083-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:11  AU: Case, Eldon D.;
19:16:14     Thermoelectric and mechanical properties of a hot pressed nanostructured n-type Si80Ge20 alloy
DOI:10.1016/j.msea.2012.11.073  JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES  PY:2013
  TC:10  AU: Kallel, A. C.;Roux, G.;Martin, C. L.;
19:16:15     Thermodynamic and mechanical properties of crystalline CoSb3: A molecular dynamics simulation study
DOI:10.1063/1.3598116  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:9  AU: Yang, Xu-qiu;Zhai, Peng-cheng;Liu, Li-sheng;Zhang, Qing-jie;
19:16:16     Room-Temperature Mechanical Properties and Slow Crack Growth Behavior of Mg2Si Thermoelectric Materials
DOI:10.1007/s11664-011-1879-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:16  AU: Schmidt, Robert D.;Case, Eldon D.;Giles, Jesse, III;Ni, Jennifer E.;Hogan, Timothy P.;
19:16:17     The influence of oxygen and nitrogen contamination on the densification behavior of cryomilled copper powders during spark plasma sintering
DOI:10.1007/s10853-010-5178-9  JN:JOURNAL OF MATERIALS SCIENCE  PY:2011
  TC:8  AU: Wen, Haiming;Zhao, Yonghao;Zhang, Zhihui;Ertorer, Osman;Dong, Shaoming;Lavernia, Enrique J.;
19:16:18     The effect of indentation-induced microcracks on the elastic modulus of hydroxyapatite
DOI:10.1007/s10853-012-6556-2  JN:JOURNAL OF MATERIALS SCIENCE  PY:2012
  TC:9  AU: Fan, X.;Case, E. D.;Baumann, M. J.;
19:16:19     Room temperature mechanical properties of natural-mineral-based thermoelectrics
DOI:10.1007/s10853-013-7569-1  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:5  AU: Fan, Xiaofeng;Case, Eldon D.;Lu, Xu;Morelli, Donald T.;
19:16:20     Enhanced thermoelectric and mechanical properties of Te-substituted skutterudite via nano-TiN dispersion
DOI:10.1016/j.scriptamat.2012.05.028  JN:SCRIPTA MATERIALIA  PY:2012
  TC:11  AU: Duan, Bo;Zhai, Pengcheng;Wen, Pengfei;Zhang, Su;Liu, Lisheng;Zhang, Qingjie;
19:16:21     Anomalous temperature-dependent Young's modulus of a cast LAST (Pb-Sb-Ag-Te) thermoelectric material
DOI:10.1016/j.actamat.2009.08.054  JN:ACTA MATERIALIA  PY:2010
  TC:10  AU: Ren, F.;Case, E. D.;Timm, E. J.;Lara-Curzio, E.;Trejo, R. M.;
19:16:22     Thermal Fatigue of Cast and Hot-Pressed Lead-Antimony-Silver-Tellurium (LAST) Thermoelectric Materials
DOI:10.1007/s11664-012-2254-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Ni, Jennifer E.;Case, Eldon D.;
19:16:23     Probing material properties with sharp indenters: a retrospective
DOI:10.1007/s10853-011-5865-1  JN:JOURNAL OF MATERIALS SCIENCE  PY:2012
  TC:20  AU: Lawn, Brian R.;Cook, Robert F.;
19:16:24     Elastic modulus, biaxial fracture strength, electrical and thermal transport properties of thermally fatigued hot pressed LAST and LASTT thermoelectric materials
DOI:10.1016/j.matchemphys.2012.03.100  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2012
  TC:7  AU: Morrison, A. Q.;Case, E. D.;Ren, F.;Baumann, A. J.;Kleinow, D. C.;Ni, J. E.;Hogan, T. P.;D'Angelo, J.;Matchanov, N. A.;Hendricks, T. J.;Karri, N. K.;Cauchy, C.;Barnard, J.;Kanatzidis, M. G.;
19:16:25     Electrical, Thermal, and Mechanical Characterization of Novel Segmented-Leg Thermoelectric Modules
DOI:10.1007/s11664-011-1717-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:13  AU: D'Angelo, Jonathan;Case, Eldon D.;Matchanov, Nuraddin;Wu, Chun-I;Hogan, Timothy P.;Barnard, James;Cauchy, Charles;Hendricks, Terry;Kanatzidis, Mercouri G.;
19:16:26     Effects of Nanoparticle Size on the Thermoelectric and Mechanical Properties of Skutterudite Nanocomposites
DOI:10.1007/s11664-014-2987-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Duan, Bo;Zhai, Pengcheng;Ding, Shijie;Xu, Chenglong;Li, Guodong;Liu, Lisheng;Li, Peng;Zhang, Qingjie;
19:16:27     High-temperature elastic moduli of thermoelectric SnTe1 +/- x - y SiC nanoparticulate composites
DOI:10.1007/s10853-013-7637-6  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:3  AU: Schmidt, Robert D.;Case, Eldon D.;Ni, Jennifer E.;Trejo, Rosa M.;Lara-Curzio, Edgar;Korkosz, Rachel J.;Kanatzidis, Mercouri G.;
19:16:28     High-temperature elastic moduli of bulk nanostructured n- and p-type silicon germanium
DOI:10.1103/PhysRevB.82.045209  JN:PHYSICAL REVIEW B  PY:2010
  TC:9  AU: Gladden, J. R.;Li, G.;Adebisi, R.;Firdosy, S.;Caillat, T.;Ravi, V.;
19:16:29     Bloating in (Pb0.95Sn0.05Te)(0.92)(PbS)(0.08)-0.055%PbI2 Thermoelectric Specimens as a Result of Processing Conditions
DOI:10.1007/s11664-011-1853-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Ni, Jennifer E.;Case, Eldon D.;Stewart, Ryan;Wu, Chun-I;Hogan, Timothy P.;Kanatzidis, Mercouri G.;
19:16:30     Enhanced Interatomic Potential for Skutterudite CoSb3 in Molecular Dynamics Simulations
DOI:10.1007/s11664-010-1203-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:8  AU: Yang, Xuqiu;Zhou, An;Liu, Lisheng;Zhang, Qingjie;Zhai, Pengcheng;
19:16:31     Molecular Dynamics Study of the Effects of Nanopores on the Tensile Mechanical Properties of Crystalline CoSb3
DOI:10.1007/s11664-013-2885-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Yang, Xu-qiu;Zhai, Peng-cheng;Cai, Chang;Liu, Li-sheng;Zhang, Qing-Jie;
19:16:32     Hardness and fracture toughness of thermoelectric La3-x Te-4
DOI:10.1007/s10853-013-7794-7  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:3  AU: Ma, James M.;Firdosy, Samad A.;Kaner, Richard B.;Fleurial, Jean-Pierre;Ravi, Vilupanur A.;
19:16:33     Effect of Nanopores on the Phonon Conductivity of Crystalline CoSb3: A Molecular Dynamics Study
DOI:10.1007/s11664-013-2886-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Yang, Xu-qiu;Zhai, Peng-cheng;Liu, Li-sheng;Chen, Gang;Zhang, Qing-Jie;
19:16:34     Reduction of thermal conductivity in porous "gray" materials
DOI:10.1063/1.4886220  JN:APL MATERIALS  PY:2014
  TC:3  AU: Tarkhanyan, Roland H.;Niarchos, Dimitris G.;
19:16:35     Low-Cycle Fatigue Properties of CoSb3-Based Skutterudite Compounds
DOI:10.1007/s11664-009-1020-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:3  AU: Ruan, Zhong-Wei;Liu, Li-Sheng;Zhai, Peng-Cheng;Wen, Peng-Fei;Zhang, Qing-Jie;
19:16:36     Molecular Dynamics Study of the Structural and Mechanical Properties of Skutterudite CoSb3: Surface Effect
DOI:10.1007/s11664-010-1393-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:0  AU: Yang, Xuqiu;Liu, Lisheng;Zhang, Qingjie;Zhai, Pengcheng;
19:16:37     High-Temperature Mechanical and Thermoelectric Properties of p-Type Bi0.5Sb1.5Te3 Commercial Zone Melting Ingots
DOI:10.1007/s11664-013-2938-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Zheng, Yun;Xie, Hongyao;Shu, Shengcheng;Yan, Yonggao;Li, Han;Tang, Xinfeng;
19:16:38     Seebeck coefficient of graded porous composites
DOI:10.1557/jmr.2013.118  JN:JOURNAL OF MATERIALS RESEARCH  PY:2013
  TC:2  AU: Tarkhanyan, Roland H.;Niarchos, Dimitris G.;
19:16:39     Mechanical properties of cerium and a cerium-5 wt% lanthanum alloy by nanoindentation and ultrasonic velocity measurements
DOI:10.1016/j.msea.2013.04.083  JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES  PY:2013
  TC:3  AU: Wheeler, D. W.;Zekonyte, J.;Wood, R. J. K.;
19:16:40     Effect of sintering temperature on mechanical and tribological properties of hydroxyapatite measured by nanoindentation and nanoscratch experiments
DOI:10.1016/j.ceramint.2014.01.131  JN:CERAMICS INTERNATIONAL  PY:2014
  TC:2  AU: Karimzadeh, Atefeh;Ayatollahi, Majid R.;Bushroa, A. R.;Herliansyah, M. K.;
19:16:41     Preparation of 50Ni-45Ti-5Zr powders by high-energy ball milling and hot pressing
DOI:10.1016/j.jallcom.2009.11.137  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:3  AU: de Alcantara Abdala, Julia Marinzeck;Fernandes, Bruno Bacci;dos Santos, Dalcy Roberto;Rodrigues Henriques, Vinicius Andre;de Moura Neto, Carlos;Ramos, Alfeu Saraiva;
19:16:42     Solid solution strengthening and phase transformation in high-temperature annealed Si80Ge20 alloy
DOI:10.1016/j.jcrysgro.2013.12.013  JN:JOURNAL OF CRYSTAL GROWTH  PY:2014
  TC:2  AU: Chiang, Tun-Yuan;Wen, Hua-Chiang;Chou, Wu-Ching;Tsai, Chien-Huang;
19:16:43     Thermal Expansion of n-Type Doped Bi2Te2.88Se0.12 and rho-Type Doped Bi0.52Sb1.48Te3 Solid Solutions from -60 degrees C to +60 degrees C
DOI:10.1007/s11664-010-1322-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:2  AU: Stern, Yu.;Pavlova, L.;Mironov, R.;
19:16:44     Thermodynamic Descriptions for the Sn-Te and Pb-Sn-Te Systems
DOI:10.1007/s11664-009-0985-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:3  AU: Liu, Yajun;Liang, Dong;Zhang, Lijun;
19:16:45     The Effect of Grain Size and Density on the Thermoelectric Properties of Bi2Te3-PbTe Compounds
DOI:10.1007/s11664-013-2753-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Yoon, Sejin;Kwon, O-Jong;Ahn, Seunghyun;Kim, Jae-Yeol;Koo, Hyun;Bae, Sung-Hwan;Cho, Jun-Young;Kim, Jin-Sang;Park, Chan;
19:16:46     Thermo-mechanical properties of La2NiO4+delta
DOI:10.1007/s10853-011-5406-y  JN:JOURNAL OF MATERIALS SCIENCE  PY:2011
  TC:3  AU: Huang, B. X.;Malzbender, J.;Steinbrech, R. W.;
19:16:47     Evaluation of the micro-hardness and fracture toughness of amorphous and partially crystallized 3CaO center dot P2O5-SiO2-MgO bioglasses
DOI:10.1016/j.msea.2011.10.117  JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES  PY:2012
  TC:6  AU: Daguano, Juliana K. M. F.;Suzuki, Paulo A.;Strecker, Kurt;Fernandes, Maria H. F. V.;Santos, Claudinei;
19:16:48     Texture development during deformation processing of the n-type bismuth telluride alloy Bi2Se0.3Te2.7
DOI:10.1016/j.rnsea.2013.09.044  JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES  PY:2013
  TC:3  AU: Srinivasan, Raghavan;McReynolds, Kevin;Gothard, Nicholas W.;Spowart, Jonathan E.;
19:17:1     Indium Selenides: Structural Characteristics, Synthesis and Their Thermoelectric Performances
DOI:10.1002/smll.201400104  JN:SMALL  PY:2014
  TC:8  AU: Han, Guang;Chen, Zhi-Gang;Drennan, John;Zou, Jin;
19:17:2     Thermoelectric properties of polycrystalline In4Se3 and In4Te3
DOI:10.1063/1.3389494  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:29  AU: Shi, Xun;Cho, Jung Y.;Salvador, James R.;Yang, Jihui;Wang, Hsin;
19:17:3     Effect of selenium deficiency on the thermoelectric properties of n-type In4Se3-x compounds
DOI:10.1103/PhysRevB.83.115201  JN:PHYSICAL REVIEW B  PY:2011
  TC:24  AU: Zhu, G. H.;Lan, Y. C.;Wang, H.;Joshi, G.;Hao, Q.;Chen, G.;Ren, Z. F.;
19:17:4     Enhancement of the Thermoelectric Figure-of-Merit in a Wide Temperature Range in In4Se3-xCl0.03 Bulk Crystals
DOI:10.1002/adma.201004739  JN:ADVANCED MATERIALS  PY:2011
  TC:29  AU: Rhyee, Jong-Soo;Ahn, Kyunghan;Lee, Kyu Hyoung;Ji, Hyo Seok;Shim, Ji-Hoon;
19:17:5     Thermal stability and oxidation of layer-structured rhombohedral In3Se4 nanostructures
DOI:10.1063/1.4857655  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:5  AU: Han, Guang;Chen, Zhi-Gang;Yang, Lei;Cheng, Lina;Jack, Kevin;Drennan, John;Zou, Jin;
19:17:6     Effect of cationic substitution on the thermoelectric properties of In4-xMxSe2.95 compounds (M = Na, Ca, Zn, Ga, Sn, Pb; x=0.1)
DOI:10.1063/1.3637053  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:15  AU: Ahn, Kyunghan;Cho, Eunseog;Rhyee, Jong-Soo;Il Kim, Sang;Lee, Sang Mock;Lee, Kyu Hyoung;
19:17:7     A Promising Mid-Temperature Thermoelectric Material Candidate: Pb/Sn-Codoped In4PbxSnySe3
DOI:10.1002/adma.201302038  JN:ADVANCED MATERIALS  PY:2013
  TC:11  AU: Lin, Zhi-Sheng;Chen, Ling;Wang, Li-Min;Zhao, Jing-Tai;Wu, Li-Ming;
19:17:8     Thermoelectric performance of the ordered In4Se3-In composite constructed by monotectic solidification
DOI:10.1039/c3ta01599h  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:6  AU: Zhai, Yongbiao;Zhang, Qiushi;Jiang, Jun;Zhang, Ting;Xiao, Yukun;Yang, Shenghui;Xu, Gaojie;
19:17:9     Improvement in the thermoelectric performance of the crystals of halogen-substituted In4Se3-xH0.03 (H = F, Cl, Br, I): Effect of halogen-substitution on the thermoelectric properties in In4Se3-x
DOI:10.1039/c2jm16369a  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:11  AU: Ahn, Kyunghan;Cho, Eunseog;Rhyee, Jong-Soo;Kim, Sang Il;Hwang, Sungwoo;Kim, Hyun-Sik;Lee, Sang Mock;Lee, Kyu Hyoung;
19:17:10     Enhancement of the Thermoelectric Performance of Polycrystalline In Se-4(2.5) by Copper Intercalation and Bromine Substitution
DOI:10.1002/aenm.201300599  JN:ADVANCED ENERGY MATERIALS  PY:2014
  TC:9  AU: Luo, Yubo;Yang, Junyou;Li, Gen;Liu, Ming;Xiao, Ye;Fu, Liangwei;Li, Weixin;Zhu, Pinwen;Peng, Jiangying;Gao, Sheng;Zhang, Jiaqi;
19:17:11     Thermoelectric properties of bipolar diffusion effect on In4Se3-xTex compounds
DOI:10.1063/1.3493269  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:14  AU: Rhyee, Jong-Soo;Cho, Eunseog;Ahn, Kyunghan;Lee, Kyu Hyoung;Lee, Sang Mock;
19:17:12     Thermoelectric properties of Se-deficient and Pb-/Sn-codoped In4Pb0.01Sn0.03Se3-x polycrystalline compounds
DOI:10.1016/j.jallcom.2014.06.196  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Kim, Jin Hee;Kim, Min Jae;Oh, Suekyung;Rhyee, Jong-Soo;
19:17:13     Effect of Fe Substitution on Thermoelectric Properties of Fe (x) In4-x Se-3 Compounds
DOI:10.1007/s11664-012-2392-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:5  AU: Li, Gen;Yang, Junyou;Xiao, Ye;Fu, Liangwei;Peng, Jiangying;Deng, Yuan;Zhu, Pinwen;Yan, Haixue;
19:17:14     Thermoelectric properties of In1.3-xSnxSe prepared by spark plasma sintering method
DOI:10.1016/j.jallcom.2012.11.139  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:1  AU: Zhai, Yongbiao;Zhang, Qiushi;Jiang, Jun;Zhang, Ting;Xiao, Yukun;Yang, Shenghui;Xu, Gaojie;
19:17:15     Vacancy-suppressed lattice conductivity of high-ZT In4Se3-x
DOI:10.1103/PhysRevB.87.125111  JN:PHYSICAL REVIEW B  PY:2013
  TC:2  AU: Ji, Hyo Seok;Kim, Hyoungchul;Lee, Changhoon;Rhyee, Jong-Soo;Kim, Moo Hwan;Kaviany, Massoud;Shim, Ji Hoon;
19:17:16     Enhancement of the Thermoelectric Properties in a Mid-Temperature Range in a Phase-Separated In4Se3-xCly/BaIn2Se4 Composite
DOI:10.1007/s13391-014-4142-2  JN:ELECTRONIC MATERIALS LETTERS  PY:2014
  TC:1  AU: Kim, Jin Hee;Rhyee, Jong-Soo;
19:17:17     Anisotropic optical and thermoelectric properties of In4Se3 and In4Te3
DOI:10.1063/1.4807312  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Li, Xingfu;Xu, Bin;Yu, Gongqi;Xue, Li;Yi, Lin;
19:17:18     Small-polaron transport and thermoelectric properties of the misfit-layer composite (BiSe)(1.09)TaSe2/TaSe2
DOI:10.1103/PhysRevB.87.224305  JN:PHYSICAL REVIEW B  PY:2013
  TC:4  AU: Kim, Jin Hee;Song, Yoo Jang;Rhyee, Jong-Soo;Kim, Bong-Seo;Park, Su-Dong;Lee, Hyeung Jin;Shin, Jae-Wook;
19:17:19     Improvement of Thermoelectric Properties of In4Se3 Bulk Materials with Cu Nanoinclusions
DOI:10.1111/jace.12518  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2013
  TC:5  AU: Li, Gen;Yang, Junyou;Luo, Yubo;Xiao, Ye;Fu, Liangwei;Liu, Ming;Peng, Jiangying;
19:17:20     Shape and crystal phase controlled synthesis of InSe nanocrystals via a simple and facile way
DOI:10.1016/j.jcrysgro.2011.09.007  JN:JOURNAL OF CRYSTAL GROWTH  PY:2011
  TC:3  AU: Ning, Jiajia;Xiao, Guanjun;Xiao, Ningru;Wang, Li;Liu, Bingbing;Zou, Bo;
19:17:21     Condenson-related thermoelectric properties and formation of coherent nanoinclusions in Te-substituted In4Se3 compounds
DOI:10.1039/c3ta12408h  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:3  AU: Jeong, Mahn;Lim, Young Soo;Seo, Won-Seon;Lee, Jong-Heun;Park, Cheol-Hee;Sznajder, Malgorzata;Kharkhalis, Lyubov Yu.;Bercha, Dariya M.;Yang, Jihui;
19:17:22     Modified structures and improved thermoelectric property in Ag-added polycrystalline In2Se3
DOI:10.1016/j.scriptamat.2010.11.026  JN:SCRIPTA MATERIALIA  PY:2011
  TC:11  AU: Cui, J. L.;Zhang, X. J.;Deng, Y.;Fu, H.;Yan, Y. M.;Gao, Y. L.;Li, Y. Y.;
19:17:23     Preparation and Thermoelectric Properties of Polycrystalline In4Sn3-x by Mechanical Alloying and Hot Pressing
DOI:10.1007/s11664-012-1948-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:9  AU: Yang, Jun-You;Wu, Jin;Li, Gen;Zhang, Jian-Sheng;Peng, Jiangying;
19:17:24     Thermoelectric Properties of Indium-Selenium Nanocomposites Prepared by Mechanical Alloying and Spark Plasma Sintering
DOI:10.1007/s11664-012-1940-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Yim, Ju-Hyuk;Park, Hyung-Ho;Jang, Ho Won;Yoo, Myong-Jae;Paik, Dong-Su;Baek, Seunghyub;Kim, Jin-Sang;
19:17:25     Ab initio calculations and ellipsometry measurements of the optical properties of the layered semiconductor In4Se3
DOI:10.1103/PhysRevB.81.075217  JN:PHYSICAL REVIEW B  PY:2010
  TC:7  AU: Makinistian, L.;Albanesi, E. A.;Gonzalez Lemus, N. V.;Petukhov, A. G.;Schmidt, D.;Schubert, E.;Schubert, M.;Losovyj, Ya. B.;Galiy, P.;Dowben, P.;
19:17:26     Magnon gap formation and charge density wave effect on thermoelectric properties in the SmNiC2 compound
DOI:10.1103/PhysRevB.86.235101  JN:PHYSICAL REVIEW B  PY:2012
  TC:4  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD)  in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum  coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;
19:17:27     Thermoelectric properties of SrTiO3 nano-particles dispersed indium selenide bulk composites
DOI:10.1063/1.4809677  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Lee, Min Ho;Rhyee, Jong-Soo;Vaseem, Mohammad;Hahn, Yoon-Bong;Park, Su-Dong;Kim, Hee Jin;Kim, Sung-Jin;Lee, Hyeung Jin;Kim, Chilsung;
19:17:28     Microstructures and Thermoelectric Properties of Spark Plasma Sintered In4Se3
DOI:10.3365/eml.2010.09.117  JN:ELECTRONIC MATERIALS LETTERS  PY:2010
  TC:8  AU: Lim, Young Soo;Cho, Ja Young;Lee, Jae-Ki;Choi, Soon-Mok;Kim, Kyoung Hun;Seo, Won-Seon;Park, Hyung-Ho;
19:17:29     Optical properties and low temperature magnetoresistance of In-4 (Se1-xTex)(3) alloy
DOI:10.1016/j.jallcom.2013.10.225  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Su, Weitao;Zhao, Shichao;Li, Lingwei;Huo, Dexuan;
19:17:30     Thermoelectric properties of chlorine doped compounds of In4Se2.7Clx
DOI:10.1063/1.3652889  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:7  AU: Rhyee, Jong-Soo;Choi, Dukhyun;
19:17:31     Synthesis and Transport Properties of In-4(Se1-xTex)(3)
DOI:10.1007/s11664-011-1599-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:7  AU: Huo, Dexuan;Tang, Guanghong;Fu, Chenguang;Li, Lingwei;
19:17:32     Ionothermal, microwave-assisted synthesis of indium(III) selenide
DOI:10.1039/c3ta14478j  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:4  AU: Tyrrell, Sophie;Swadzba-Kwasny, Malgorzata;Nockemann, Peter;
19:17:33     Electronic structure and thermoelectric properties of In4Se3-x (x=0, 0.25, 0.5, 0.75): First-principles calculations
DOI:10.1016/j.jallcom.2013.11.189  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Luo, Dong Bao;Si, Hai Gang;Wang, Yuan Xu;
19:17:34     Thermoelectric Properties of Spark Plasma-Sintered In4Se3-In4Te3
DOI:10.1007/s11664-010-1492-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:4  AU: Cho, Ja Young;Lim, Young Soo;Choi, Soon-Mok;Kim, Kyoung Hun;Seo, Won-Seon;Park, Hyung-Ho;
19:17:35     In6Se7 thin films by heating thermally evaporated indium and chemical bath deposited selenium multilayers
DOI:10.1016/j.apsusc.2012.02.084  JN:APPLIED SURFACE SCIENCE  PY:2012
  TC:5  AU: Ornelas, R. E.;Avellaneda, D.;Shaji, S.;Castillo, G. A.;Das Roy, T. K.;Krishnan, B.;
19:17:36     Magnetic, electric and crystallographic properties of diluted magnetic InSe(1-x)Fe(Co)(x) semiconductor
DOI:10.1016/j.jallcom.2012.03.099  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:5  AU: El-Sayed, Karimat;Heiba, Z. K.;Sedeek, K.;Hantour, H. H.;
19:17:37     Composition-Dependent Thermoelectric Properties of n-Type Bi2Te2.7Se0.3 Doped with In4Se3
DOI:10.1007/s11664-013-2565-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Yim, Ju-Hyuk;Baek, Seung-Hyub;Shin, Hyun-Yong;Hyun, Dow Bin;Kim, Jin-Sang;
19:17:38     Single crystalline beta-Ga2O3 nanowires synthesized by thermal oxidation of GaSe layer
DOI:10.1016/j.materresbull.2012.08.083  JN:MATERIALS RESEARCH BULLETIN  PY:2013
  TC:3  AU: Filippo, Emanuela;Siciliano, Maria;Genga, Alessandra;Micocci, Gioacchino;Tepore, Antonio;Siciliano, Tiziana;
19:17:39     Sub-bandgap analysis of boron doped In Se single crystals by constant photocurrent method
DOI:10.1016/j.optmat.2014.04.047  JN:OPTICAL MATERIALS  PY:2014
  TC:1  AU: Bacioglu, A.;Ertap, H.;Karabulut, M.;Mamedov, G. M.;
19:17:40     Solvo-Thermal Synthesis and Characterization of Indium Selenide Nanocrystals
DOI:10.1111/j.1551-2916.2011.04668.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2011
  TC:5  AU: Hsiang, Hsing-I;Lu, Li-Hsin;Chang, Yu-Lun;Ray, Dahtong;Yen, Fu-Su;
19:17:41     Thermoelectric Properties of the Pseudobinary Alloy (Ag0.365Sb0.558Te)(0.975)(GeTe)(0.025) Prepared by Spark Plasma Sintering
DOI:10.1007/s11664-010-1278-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:2  AU: Cui, J. L.;Fu, H.;Yan, Y. M.;Zhang, X. J.;Chen, D. Y.;
19:17:42     Microstructures, magnetic and electric properties of diluted magnetic semiconductors InTe1-x Fe-x (Co-x)
DOI:10.1016/j.materresbull.2013.02.071  JN:MATERIALS RESEARCH BULLETIN  PY:2013
  TC:1  AU: El-Sayed, Karimat;Sedeek, K.;Heiba, Z. K.;Hantour, H. H.;
19:17:43     Renewable energy in focus: In5Se5Br, a solid material with promising thermoelectric properties for industrial applications
DOI:10.1016/j.materresbull.2014.08.001  JN:MATERIALS RESEARCH BULLETIN  PY:2014
  TC:0  AU: Xhaxhiu, Kledi;Kvarnstrom, Carita;Damlin, Pia;Bente, Klaus;
19:18:1     Experimental Studies on Anisotropic Thermoelectric Properties and Structures of n-Type Bi2Te2.7Se0.3
DOI:10.1021/nl101156v  JN:NANO LETTERS  PY:2010
  TC:143  AU: Yan, Xiao;Poudel, Bed;Ma, Yi;Liu, W. S.;Joshi, G.;Wang, Hui;Lan, Yucheng;Wang, Dezhi;Chen, Gang;Ren, Z. F.;
19:18:2     Enhancement in thermoelectric performance of bismuth telluride based alloys by multi-scale microstructural effects
DOI:10.1039/c2jm32916f  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:25  AU: Hu, Lipeng;Gao, Hongli;Liu, Xiaohua;Xie, Hanhui;Shen, Junjie;Zhu, Tiejun;Zhao, Xinbing;
19:18:3     Large ZT enhancement in hot forged nanostructured p-type Bi0.5Sb1.5Te3 bulk alloys
DOI:10.1039/c3ta13952b  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:8  AU: Jiang, Qinghui;Yan, Haixue;Khaliq, Jibran;Ning, Huanpo;Grasso, Salvatore;Simpson, Kevin;Reece, Mike J.;
19:18:4     BiSbTe-Based Nanocomposites with High ZT : The Effect of SiC Nanodispersion on Thermoelectric Properties
DOI:10.1002/adfm.201300146  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2013
  TC:36  AU: Li, Jianhui;Tan, Qing;Li, Jing-Feng;Liu, Da-Wei;Li, Fu;Li, Zong-Yue;Zou, Minmin;Wang, Ke;
19:18:5     Influence of powder morphology on thermoelectric anisotropy of spark-plasma-sintered Bi-Te-based thermoelectric materials
DOI:10.1016/j.actamat.2010.09.054  JN:ACTA MATERIALIA  PY:2011
  TC:30  AU: Kim, Dong Hwan;Kim, Cham;Heo, Seong Hyeon;Kim, Hoyoung;
19:18:6     Improving thermoelectric properties of n-type bismuth-telluride-based alloys by deformation-induced lattice defects and texture enhancement
DOI:10.1016/j.actamat.2012.05.008  JN:ACTA MATERIALIA  PY:2012
  TC:25  AU: Hu, L. P.;Liu, X. H.;Xie, H. H.;Shen, J. J.;Zhu, T. J.;Zhao, X. B.;
19:18:7     Enhanced thermoelectric properties of Bi-2(Te1-xSex)(3)-based compounds as n-type legs for low-temperature power generation
DOI:10.1039/c2jm34608g  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:14  AU: Wang, Shanyu;Tan, Gangjian;Xie, Wenjie;Zheng, Gang;Li, Han;Yang, Jihui;Tang, Xinfeng;
19:18:8     The texture related anisotropy of thermoelectric properties in bismuth telluride based polycrystalline alloys
DOI:10.1063/1.3643051  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:18  AU: Shen, J. J.;Hu, L. P.;Zhu, T. J.;Zhao, X. B.;
19:18:9     Shifting up the optimum figure of merit of p-type bismuth telluride-based thermoelectric materials for power generation by suppressing intrinsic conduction
DOI:10.1038/am.2013.86  JN:NPG ASIA MATERIALS  PY:2014
  TC:26  AU: Hu, Li-Peng;Zhu, Tie-Jun;Wang, Ya-Guang;Xie, Han-Hui;Xu, Zhao-Jun;Zhao, Xin-Bing;
19:18:10     Point Defect Engineering of High-Performance Bismuth-Telluride-Based Thermoelectric Materials
DOI:10.1002/adfm.201400474  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2014
  TC:17  AU: Hu, Lipeng;Zhu, Tiejun;Liu, Xiaohua;Zhao, Xinbing;
19:18:11     Enhanced thermoelectric performance in spark plasma textured bulk n-type BiTe2.7Se0.3 and p-type Bi0.5Sb1.5Te3
DOI:10.1063/1.4807771  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:3  AU: Bhame, Shekhar D.;Pravarthana, Dhanapal;Prellier, Wilfrid;Noudem, Jacques G.;
19:18:12     Formation of Cu nanoparticles in layered Bi2Te3 and their effect on ZT enhancement
DOI:10.1039/c1jm10163c  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:23  AU: Han, Mi-Kyung;Ahn, Kyunghan;Kim, HeeJin;Rhyee, Jong-Soo;Kim, Sung-Jin;
19:18:13     Ultra low thermal conductivity of disordered layered p-type bismuth telluride
DOI:10.1039/c3tc30152d  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2013
  TC:5  AU: Grasso, Salvatore;Tsujii, Naohito;Jiang, Qinghui;Khaliq, Jibran;Maruyama, Satofumi;Miranda, Miriam;Simpson, Kevin;Mori, Takao;Reece, Michael J.;
19:18:14     Mechanical and thermal processing effects on crystal defects and thermoelectric transport properties of Bi-2(Se,Te)(3) compounds
DOI:10.1016/j.jallcom.2013.03.190  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:7  AU: Lu, Meng-Pei;Liao, Chien-Neng;
19:18:15     Preparation of Bi0.5Sb1.5Te3 Thermoelectric Materials by Pulse-Current Sintering Under Cyclic Uniaxial Pressure
DOI:10.1007/s11664-013-2796-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Kitagawa, Hiroyuki;Nagao, Kojiro;Mimura, Naoki;Morito, Shigekazu;Kikuchi, Kotaro;
19:18:16     Improved Thermoelectric Performance of p-Type Bismuth Antimony Telluride Bulk Alloys Prepared by Hot Forging
DOI:10.1007/s11664-011-1549-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:17  AU: Shen, J. J.;Yin, Z. Z.;Yang, S. H.;Yu, C.;Zhu, T. J.;Zhao, X. B.;
19:18:17     Fabrication and thermoelectric properties of crystal-aligned nano-structured Bi2Te3
DOI:10.1016/j.jallcom.2011.02.059  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:14  AU: Kim, Dong-Hwan;Kim, Cham;Ha, Dong-Woo;Kim, Hoyoung;
19:18:18     Enhanced Thermoelectric Properties Obtained by Compositional Optimization in p-Type BixSb2-xTe3 Fabricated by Mechanical Alloying and Spark Plasma Sintering
DOI:10.1007/s11664-010-1463-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:10  AU: Chen, Chen;Liu, Da-Wei;Zhang, Bo-Ping;Li, Jing-Feng;
19:18:19     Effects of SiC Nanodispersion on the Thermoelectric Properties of p-Type and n-Type Bi2Te3-Based Alloys
DOI:10.1007/s11664-010-1476-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:16  AU: Liu, Da-Wei;Li, Jing-Feng;Chen, Chen;Zhang, Bo-Ping;
19:18:20     Interfacial Step Structure at a (0001) Basal Twin in Bi2Te3
DOI:10.1007/s11664-011-1859-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Medlin, D. L.;Yang, N. Y. C.;
19:18:21     Investigation of the sintering pressure and thermal conductivity anisotropy of melt-spun spark-plasma-sintered (Bi,Sb)(2)Te-3 thermoelectric materials
DOI:10.1557/jmr.2011.170  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:13  AU: Xie, Wenjie;He, Jian;Zhu, Song;Holgate, Tim;Wang, Shanyu;Tang, Xinfeng;Zhang, Qingjie;Tritt, Terry M.;
19:18:22     Quantitative Texture Analysis of Spark Plasma Textured n-Bi2Te3
DOI:10.1111/jace.12970  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2014
  TC:5  AU: Lognone, Quentin;Gascoin, Franck;Lebedev, Oleg I.;Lutterotti, Luca;Gascoin, Stephanie;Chateigner, Daniel;
19:18:23     Hot deformation induced bulk nanostructuring of unidirectionally grown p-type (Bi,Sb)(2)Te-3 thermoelectric materials
DOI:10.1039/c3ta12764h  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:12  AU: Zhu, Tiejun;Xu, Zhaojun;He, Jian;Shen, Junjie;Zhu, Song;Hu, Lipeng;Tritt, Terry M.;Zhao, Xinbing;
19:18:24     Compressive creep behavior of cast Bi2Te3
DOI:10.1016/j.msea.2012.12.052  JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES  PY:2013
  TC:1  AU: Guan, Zhi-Ping;Dunand, David C.;
19:18:25     Effect of Processing Route on the Microstructure and Thermoelectric Properties of Bismuth Telluride-Based Alloys
DOI:10.1007/s11664-009-1051-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:9  AU: Gothard, N.;Wilks, G.;Tritt, T. M.;Spowart, J. E.;
19:18:26     Fabrication and thermoelectric properties of c-axis-aligned Bi0.5Sb1.5Te3 with a high magnetic field
DOI:10.1016/j.actamat.2011.04.040  JN:ACTA MATERIALIA  PY:2011
  TC:7  AU: Kim, Dong Hwan;Kim, Cham;Je, Koo-Chul;Ha, Gook Hyun;Kim, Hoyoung;
19:18:27     Effects of crystal-alignment and grain shape on the thermoelectric properties of Bi0.5Sb1.5Te3 alloys
DOI:10.1016/j.jallcom.2011.12.030  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:2  AU: Je, Koo-Chul;Ko, Beyungduk;Kim, Cham;Kim, Hoyoung;Kim, Dong-Hwan;
19:18:28     Effect of NiTe Nanoinclusions on Thermoelectric Properties of Bi2Te3
DOI:10.1007/s11664-012-2003-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Sumithra, S.;Takas, Nathan J.;Nolting, Westly M.;Sapkota, Sanshrut;Poudeu, Pierre F. P.;Stokes, Kevin L.;
19:18:29     Equal Channel Angular Extrusion Technique for Controlling the Texture of n-Type Bi2Te3 Based Thermoelectric Materials
DOI:10.2320/matertrans.M2010065  JN:MATERIALS TRANSACTIONS  PY:2010
  TC:5  AU: Hayashi, Takahiro;Horio, Yuma;Takizawa, Hirotsugu;
19:18:30     Improvement in thermoelectric properties of an n-type bismuth telluride (Bi2Se0.3Te2.7) due to texture development and grain refinement during hot deformation
DOI:10.1016/j.matlet.2010.05.018  JN:MATERIALS LETTERS  PY:2010
  TC:5  AU: Srinivasan, Raghavan;Gothard, Nicholas;Spowart, Jonathan;
19:18:31     Figure of merit enhancement in bismuth telluride alloys via fullerene-assisted microstructural refinement
DOI:10.1063/1.3606547  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:6  AU: Gothard, N. W.;Tritt, T. M.;Spowart, J. E.;
19:18:32     Enhanced thermoelectric performance in spark plasma textured bulk n-type Bi2Te2.7Se0.3 and p-type Bi0.5Sb1.5Te3 (vol 102, 211901, 2013)
DOI:10.1063/1.4813262  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Bhame, S. D.;Pravarthana, D.;Prellier, W.;Noudem, J. G.;
19:18:33     Thermoelectric Properties of Bi0.5Sb1.5Te3 Prepared by Liquid-Phase Growth Using a Sliding Boat
DOI:10.1007/s11664-013-2518-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Kitagawa, Hiroyuki;Takino, Teppei;Tsukutani, Tatsuya;Kato, Toshihito;Nanba, Masao;Kamata, Kin-Ya;
19:19:1     Zintl Chemistry for Designing High Efficiency Thermoelectric Materials
DOI:10.1021/cm901956r  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:176  AU: Toberer, Eric S.;May, Andrew F.;Snyder, G. Jeffrey;
19:19:2     Phonon engineering through crystal chemistry
DOI:10.1039/c1jm11754h  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:84  AU: Toberer, Eric S.;Zevalkink, Alex;Snyder, G. Jeffrey;
19:19:3     The Zintl Compound Ca5Al2Sb6 for Low-Cost Thermoelectric Power Generation
DOI:10.1002/adfm.201000970  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2010
  TC:47  AU: Toberer, Eric S.;Zevalkink, Alexandra;Crisosto, Nicole;Snyder, G. Jeffrey;
19:19:4     Improved carrier concentration control in Zn-doped Ca5Al2Sb6
DOI:10.1063/1.3607976  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:26  AU: Zevalkink, Alex;Toberer, Eric S.;Bleith, Tim;Flage-Larsen, Espen;Snyder, G. Jeffrey;
19:19:5     Crystal structure, electronic structure, and thermoelectric properties of Ca5Al2Sb6
DOI:10.1039/c1jm11463h  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:20  AU: Yan, Yu Li;Wang, Yuan Xu;
19:19:6     Thermoelectric properties of the Yb9Mn4.2-xZnxSb9 solid solutions
DOI:10.1039/c4ta00539b  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:8  AU: Ohno, Saneyuki;Zevalkink, Alexandra;Takagiwa, Yoshiki;Bux, Sabah K.;Snyder, G. Jeffrey;
19:19:7     Influence of the Triel Elements (M = Al, Ga, In) on the Transport Properties of Ca5M2Sb6 Zintl Compounds
DOI:10.1021/cm300520w  JN:CHEMISTRY OF MATERIALS  PY:2012
  TC:27  AU: Zevalkink, Alex;Pomrehn, Gregory S.;Johnson, Samantha;Swallow, Jessica;Gibbs, Zachary M.;Snyder, G. Jeffrey;
19:19:8     Thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2
DOI:10.1103/PhysRevB.85.035202  JN:PHYSICAL REVIEW B  PY:2012
  TC:9  AU: May, Andrew F.;McGuire, Michael A.;Singh, David J.;Ma, Jie;Delaire, Olivier;Huq, Ashfia;Cai, Wei;Wang, Hsin;
19:19:9     Nonstoichiometry in the Zintl Phase Yb1-delta Zn2Sb2 as a Route to Thermoelectric Optimization
DOI:10.1021/cm502588r  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:5  AU: Zevalkink, Alex;Zeier, Wolfgang G.;Cheng, Ethan;Snyder, Jeffrey;Fleurial, Jean-Pierre;Bux, Sabah;
19:19:10     The elastic and thermoelectric properties of the Zintl compound Ca5Al2Sb6 under high pressure
DOI:10.1063/1.4902949  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Yang, Gui;Cui, Haitao;Ma, Dongwei;He, Chaozheng;
19:19:11     Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <= x <= 1; 0 <= y <= 1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance
DOI:10.1021/ja403653m  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2013
  TC:3  AU: Wang, Jian;Liu, Xiao-Cun;Xia, Sheng-Qing;Tao, Xu-Tang;
19:19:12     Electronic structure and thermoelectric properties of orthorhombic SrLiAs
DOI:10.1063/1.4890516  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Guo, Li Bin;Wang, Yuan Xu;Yan, Yu Li;Yang, Gui;Yang, Jue Ming;Feng, Zhen Zhen;
19:19:13     The high thermopower of the Zintl compound Sr5Sn2As6 over a wide temperature range: first-principles calculations
DOI:10.1039/c4ta02452d  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:2  AU: Luo, Dong Bao;Wang, Yuan Xu;Yan, Yu Li;Yang, Gui;Yang, Jue Ming;
19:19:14     Thermoelectric properties of Zn-doped Ca3AlSb3
DOI:10.1039/c2jm31324c  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:11  AU: Zeier, Wolfgang G.;Zevalkink, Alex;Schechtel, Eugen;Tremel, Wolfgang;Snyder, G. Jeffrey;
19:19:15     Glass-like lattice thermal conductivity and high thermoelectric efficiency in Yb9Mn4.2Sb9
DOI:10.1039/c3ta14021k  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:24  AU: Bux, Sabah K.;Zevalkink, Alexandra;Janka, Oliver;Uhl, David;Kauzlarich, Susan;Snyder, Jeffrey G.;Fleurial, Jean-Pierre;
19:19:16     High-Temperature Transport Properties of the Zintl Phases Yb-11 GaSb9 and Yb-11 InSbg(9)
DOI:10.1021/cm901824c  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:15  AU: Yi, Tanghong;Cox, Catherine A.;Toberer, Eric S.;Snyder, G. Jeffrey;Kauzlarich, Susan M.;
19:19:17     Improved thermoelectric properties in Zn-doped Ca5Ga2Sb6
DOI:10.1039/c3ta00844d  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:17  AU: Johnson, Samantha I.;Zevalkink, Alex;Snyder, G. Jeffrey;
19:19:18     High-Temperature Thermoelectric Properties of the Solid-Solution Zintl Phase Eu11Cd6Sb12-xAsx (x < 3)
DOI:10.1021/cm403345a  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:6  AU: Kazem, Nasrin;Xie, Weiwei;Ohno, Saneyuki;Zevalkink, Alexandra;Miller, Gordon J.;Snyder, G. Jeffrey;Kauzlarich, Susan M.;
19:19:19     Zintl phase Yb1-xCaxCd2Sb2 with tunable thermoelectric properties induced by cation substitution
DOI:10.1063/1.3327443  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:21  AU: Cao, Qi-Gao;Zhang, Hui;Tang, Mei-Bo;Chen, Hao-Hong;Yang, Xin-Xin;Grin, Yuri;Zhao, Jing-Tai;
19:19:20     Properties of single crystalline AZn(2)Sb(2) (A = Ca,Eu,Yb)
DOI:10.1063/1.3681817  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:8  AU: May, Andrew F.;McGuire, Michael A.;Ma, Jie;Delaire, Olivier;Huq, Ashfia;Custelcean, Radu;
19:19:21     Electronic structure and thermoelectric performance of Zintl compound Ca5Ga2As6
DOI:10.1039/c2jm32945j  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:12  AU: Yan, Yu Li;Wang, Yuan Xu;Zhang, Guang Biao;
19:19:22     Valence band study of thermoelectric Zintl-phase SrZn2Sb2 and YbZn2Sb2: X-ray photoelectron spectroscopy and density functional theory
DOI:10.1103/PhysRevB.81.205204  JN:PHYSICAL REVIEW B  PY:2010
  TC:13  AU: Flage-Larsen, Espen;Diplas, Spyros;Prytz, Oystein;Toberer, Eric S.;May, Andrew F.;
19:19:23     Electronic structure and thermoelectric performance of Zintl compound Sr3GaSb3: A first-principles study
DOI:10.1063/1.4860996  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Shi, Qing Feng;Yan, Yu Li;Wang, Yuan Xu;
19:19:24     A key factor improving the thermoelectric properties of Zintl compounds A(5)M(2)Pn(6) (A = Ca, Sr, Ba; M = Ga, Al, In; Pn = As, Sb)
DOI:10.1016/j.commatsci.2013.12.049  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2014
  TC:2  AU: Yan, Yu Li;Wang, Yuan Xu;Zhang, Guang Biao;
19:19:25     Large anisotropy of electrical conductivity induced high thermoelectric performance of p-type CrSi2
DOI:10.1016/j.jallcom.2013.07.020  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:0  AU: Zhang, Xiao Jing;Yan, Yu Li;Wang, Yuan Xu;
19:19:26     Thermoelectric Properties of Mn-Doped Ca5Al2Sb6
DOI:10.1007/s11664-012-1951-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:8  AU: Zevalkink, Alex;Swallow, Jessica;Snyder, G. Jeffrey;
19:19:27     Electronic and transport properties of zintl phase AeMg(2)Pn(2), Ae = Ca,Sr,Ba, Pn = As,Sb,Bi in relation to Mg3Sb2
DOI:10.1063/1.4824465  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Singh, David J.;Parker, David;
19:19:28     On the Thermoelectric Properties of Zintl Compounds Mg3Bi2-x Pn (x) (Pn = P and Sb)
DOI:10.1007/s11664-012-2417-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Ponnambalam, V.;Morelli, Donald T.;
19:19:29     Thermoelectric Properties of Light-Element-Containing Zintl Compounds CaZn2-x Cu (x) P-2 and CaMnZn1-x Cu (x) P-2 (x=0.0-0.2)
DOI:10.1007/s11664-013-2895-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Ponnambalam, V.;Morelli, Donald T.;
19:19:30     Thermoelectric properties of Mn-doped Mg-Sb single crystals
DOI:10.1039/c4ta02386b  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:1  AU: Kim, Soohyun;Kim, Chungman;Hong, Yang-Ki;Onimaru, Takahiro;Suekuni, Koichiro;Takabatake, Toshiro;Jung, Myung-Hwa;
19:19:31     Improved carrier concentration control in Zn-doped Ca5Al2Sb6 (vol 110, 013721, 2011)
DOI:10.1063/1.3665442  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:0  AU: Zevalkink, Alex;Toberer, Eric S.;Bleith, Tim;Flage-Larsen, Espen;Snyder, G. Jeffrey;
19:19:32     Giant Thermopower at Low Temperatures in Novel Clathrates Ba-8{Cu,Zn} (x) Ge46-x
DOI:10.1007/s11664-010-1231-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:2  AU: Bednar, I.;Royanian, E.;Buehler-Paschen, S.;Bauer, E.;Nasir, N.;Grytsiv, A.;Melnychenko-Koblyuk, N.;Rogl, P.;
19:19:33     Influence of Addition of Alumina Nanoparticles on Thermoelectric Properties of La-Filled Skutterudite CoSb3 Compounds
DOI:10.2320/matertrans.E-M2012821  JN:MATERIALS TRANSACTIONS  PY:2012
  TC:1  AU: Itoh, Takashi;Matsuhara, Masaki;
19:20:1     Remarkable Enhancement in Thermoelectric Performance of BiCuSeO by Cu Deficiencies
DOI:10.1021/ja2091195  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2011
  TC:52  AU: Liu, Yong;Zhao, Li-Dong;Liu, Yaochun;Lan, Jinle;Xu, Wei;Li, Fu;Zhang, Bo-Ping;Berardan, David;Dragoe, Nita;Lin, Yuan-Hua;Nan, Ce-Wen;Li, Jing-Feng;Zhu, Hongmin;
19:20:2     Bi1-xSrxCuSeO oxyselenides as promising thermoelectric materials
DOI:10.1063/1.3485050  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:48  AU: Zhao, L. D.;Berardan, D.;Pei, Y. L.;Byl, C.;Pinsard-Gaudart, L.;Dragoe, N.;
19:20:3     Thermoelectric properties of Mg doped p-type BiCuSeO oxyselenides
DOI:10.1016/j.jallcom.2012.10.160  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:28  AU: Li, Jing;Sui, Jiehe;Barreteau, Celine;Berardan, David;Dragoe, Nita;Cai, Wei;Pei, Yanling;Zhao, Li-Dong;
19:20:4     High thermoelectric performance of oxyselenides: intrinsically low thermal conductivity of Ca-doped BiCuSeO
DOI:10.1038/am.2013.15  JN:NPG ASIA MATERIALS  PY:2013
  TC:42  AU: Pei, Yan-Ling;He, Jiaqing;Li, Jing-Feng;Li, Fu;Liu, Qijun;Pan, Wei;Barreteau, Celine;Berardan, David;Dragoe, Nita;Zhao, Li-Dong;
19:20:5     Electronic structures and thermoelectric properties of layered BiCuOCh oxychalcogenides (Ch = S, Se and Te): first-principles calculations
DOI:10.1039/c3ta11222e  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:20  AU: Zou, Daifeng;Xie, Shuhong;Liu, Yunya;Lin, Jianguo;Li, Jiangyu;
19:20:6     Structural and Electronic Transport Properties in Sr-Doped BiCuSeO
DOI:10.1021/cm301492z  JN:CHEMISTRY OF MATERIALS  PY:2012
  TC:40  AU: Barreteau, Celine;Berardan, David;Amzallag, Emilie;Zhao, LiDong;Dragoe, Nita;
19:20:7     Low effective mass leading to an improved ZT value by 32% for n-type BiCuSeO: a first-principles study
DOI:10.1039/c4ta02050b  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:3  AU: Yang, Jueming;Yang, Gui;Zhang, Guangbiao;Wang, Yuan Xu;
19:20:8     Enhanced Thermoelectric Properties of Pb-doped BiCuSeO Ceramics
DOI:10.1002/adma.201301675  JN:ADVANCED MATERIALS  PY:2013
  TC:24  AU: Lan, Jin-Le;Liu, Yao-Chun;Zhan, Bin;Lin, Yuan-Hua;Zhang, Boping;Yuan, Xun;Zhang, Wenqing;Xu, Wei;Nan, C. -W.;
19:20:9     Influence of Pb doping on the electrical transport properties of BiCuSeO
DOI:10.1063/1.4775593  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:19  AU: Pan, Lin;Berardan, David;Zhao, Lidong;Barreteau, Celine;Dragoe, Nita;
19:20:10     Enhanced thermoelectric performance of Ca-doped BiCuSeO in a wide temperature range
DOI:10.1039/c3ta11806a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:22  AU: Li, Fu;Wei, Tian-Ran;Kang, Feiyu;Li, Jing-Feng;
19:20:11     Enhanced low temperature thermoelectric performance of Ag-doped BiCuSeO
DOI:10.1063/1.4894258  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Tan, S. G.;Lei, Hechang;Shao, D. F.;Lv, H. Y.;Lu, W. J.;Huang, Y. N.;Liu, Y.;Yuan, B.;Zu, L.;Kan, X. C.;Song, W. H.;Sun, Y. P.;
19:20:12     Electrical and thermal transport properties of AgIn5Te8
DOI:10.1016/j.jallcom.2013.03.037  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:1  AU: Pei, Yan-Ling;Zhang, Chaolei;Li, Jing;Sui, Jiehe;
19:20:13     Doping for higher thermoelectric properties in p-type BiCuSeO oxyselenide
DOI:10.1063/1.4799643  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:16  AU: Lan, Jin-Le;Zhan, Bin;Liu, Yao-Chun;Zheng, Bin;Liu, Yong;Lin, Yuan-Hua;Nan, Ce-Wen;
19:20:14     Thermal stability and oxidation resistance of BiCuSeO based thermoelectric ceramics
DOI:10.1016/j.jallcom.2014.06.117  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Li, Fu;Wei, Tian-Ran;Kang, Feiyu;Li, Jing-Feng;
19:20:15     Point defect-assisted doping mechanism and related thermoelectric transport properties in Pb-doped BiCuOTe
DOI:10.1039/c4ta04057k  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:2  AU: An, Tae-Ho;Lim, Young Soo;Choi, Hyoung-Seuk;Seo, Won-Seon;Park, Cheol-Hee;Kim, Gwi-Rang;Park, Chan;Lee, Chang Hoon;Shim, Ji Hoon;
19:20:16     High Thermoelectric Performance Realized in a BiCuSeO System by Improving Carrier Mobility through 3D Modulation Doping
DOI:10.1021/ja507945h  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:0  AU: Pei, Yan-Ling;Wu, Haijun;Wu, Di;Zheng, Fengshan;He, Jiaqing;
19:20:17     Role of lone pair electrons in determining the optoelectronic properties of BiCuOSe
DOI:10.1103/PhysRevB.85.085207  JN:PHYSICAL REVIEW B  PY:2012
  TC:11  AU: Sallis, S.;Piper, L. F. J.;Francis, J.;Tate, J.;Hiramatsu, H.;Kamiya, T.;Hosono, H.;
19:20:18     Density of state effective mass and related charge transport properties in K-doped BiCuOSe
DOI:10.1063/1.4837475  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:6  AU: Lee, Dong Sun;An, Tae-Ho;Jeong, Mahn;Choi, Hyoung-Seuk;Lim, Young Soo;Seo, Won-Seon;Park, Cheol-Hee;Park, Chan;Park, Hyung-Ho;
19:20:19     Thermoelectric Properties of Pb-Doped BiCuSeO Ceramics
DOI:10.1111/jace.12528  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2013
  TC:12  AU: Liu, Yao-chun;Lan, Jin-Le;Zhan, Bin;Ding, Junxuan;Liu, Yong;Lin, Yuan-Hua;Zhang, Boping;Nan, Ce-wen;
19:20:20     Synthesis, structural characterisation and thermoelectric properties of Bi1-xPbxOCuSe
DOI:10.1039/c3ta12753b  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:11  AU: Luu, Son D. N.;Vaqueiro, Paz;
19:20:21     Influence of Te substitution on the structural and electronic properties of thermoelectric BiCuSeO
DOI:10.1039/c2ta00818a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:15  AU: Barreteau, Celine;Berardan, David;Zhao, LiDong;Dragoe, Nita;
19:20:22     A copper-containing oxytelluride as a promising thermoelectric material for waste heat recovery
DOI:10.1039/c2ta00878e  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:18  AU: Vaqueiro, Paz;Guelou, Gabin;Stec, Maria;Guilmeau, Emmanuel;Powell, Anthony V.;
19:20:23     The roles of Na doping in BiCuSeO oxyselenides as a thermoelectric material
DOI:10.1039/c3ta14532h  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:10  AU: Li, Jing;Sui, Jiehe;Pei, Yanling;Meng, Xianfu;Berardan, David;Dragoe, Nita;Cai, Wei;Zhao, Li-Dong;
19:20:24     Evidence of an interlayer charge transfer route in BiCu1-xSeO
DOI:10.1039/c3ta12094e  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:5  AU: Xu, Wei;Liu, Yong;Zhao, Li-Dong;An, Pengfei;Lin, Yuan-Hua;Marcelli, Augusto;Wu, Ziyu;
19:20:25     Pulsed laser deposition of BiCuOSe thin films
DOI:10.1007/s00339-010-5946-z  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2011
  TC:9  AU: Zakutayev, A.;Newhouse, P. F.;Kykyneshi, R.;Hersh, P. A.;Keszler, D. A.;Tate, J.;
19:20:26     Remarkable Enhancement in Thermoelectric Performance of BiCuSeO by Cu Deficiencies (vol 133, pg 20112, 2011)
DOI:10.1021/ja211769z  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:3  AU: Liu, Yong;Zhao, Li-Dong;Liu, Yaochun;Lan, Jinle;Xu, Wei;Li, Fu;Zhang, Bo-Ping;Berardan, David;Dragoe, Nita;Lin, Yuan-Hua;Nan, Ce-Wen;Li, Jing-Feng;Zhu, Hongmin;
19:20:27     Improved thermal barrier properties of InFeZnO4 ceramics by Gd/Yb doping
DOI:10.1016/j.jallcom.2013.09.169  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Guo, Hongbo;Zhang, Chaolei;Pei, Yanling;Guo, Lei;Gong, Shengkai;
19:21:1     Transition metal oxides - Thermoelectric properties
DOI:10.1016/j.pmatsci.2013.06.003  JN:PROGRESS IN MATERIALS SCIENCE  PY:2013
  TC:31  AU: Walia, Sumeet;Balendhran, Sivacarendran;Nili, Hussein;Zhuiykov, Serge;Rosengarten, Gary;Wang, Qing Hua;Bhaskaran, Madhu;Sriram, Sharath;Strano, Michael S.;Kalantar-zadeh, Kourosh;
19:21:2     Al-Doped Zinc Oxide Nanocomposites with Enhanced Thermoelectric Properties
DOI:10.1021/nl202439h  JN:NANO LETTERS  PY:2011
  TC:84  AU: Jood, Priyanka;Mehta, Rutvik J.;Zhang, Yanliang;Peleckis, Germanas;Wang, Xiaolin;Siegel, Richard W.;Borca-Tasciuc, Theo;Dou, Shi Xue;Ramanath, Ganpati;
19:21:3     Influence of the Preparation Conditions on the Thermoelectric Properties of Al-Doped ZnO
DOI:10.1111/j.1551-2916.2010.03751.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2010
  TC:31  AU: Berardan, David;Byl, Celine;Dragoe, Nita;
19:21:4     Sintering and annealing effects on ZnO microstructure and thermoelectric properties
DOI:10.1016/j.actamat.2013.02.021  JN:ACTA MATERIALIA  PY:2013
  TC:7  AU: Sondergaard, Martin;Bojesen, Espen D.;Borup, Kasper A.;Christensen, Sebastian;Christensen, Mogens;Iversen, Bo B.;
19:21:5     Enhanced boundary-scattering of electrons and phonons in nanograined zinc oxide
DOI:10.1063/1.3475650  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:23  AU: Kinemuchi, Yoshiaki;Nakano, Hiromi;Mikami, Masashi;Kobayashi, Keizo;Watari, Koji;Hotta, Yuji;
19:21:6     Textured Al-doped ZnO ceramics with isotropic grains
DOI:10.1016/j.jeurceramsoc.2014.07.009  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2014
  TC:1  AU: Diaz-Chao, P.;Giovannelli, F.;Lebedev, O.;Chateigner, D.;Lutterotti, L.;Delorme, F.;Guilmeau, E.;
19:21:7     High-temperature charge transport and thermoelectric properties of a degenerately Al-doped ZnO nanocomposite
DOI:10.1039/c2jm31763j  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:18  AU: Nam, Woo Hyun;Lim, Young Soo;Choi, Soon-Mok;Seo, Won-Seon;Lee, Jeong Yong;
19:21:8     Understanding sintering characteristics of ZnO nanoparticles by FIB-SEM three-dimensional analysis
DOI:10.1016/j.jeurceramsoc.2013.04.026  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2013
  TC:6  AU: Chen, Bo;Xia, Zhenbo;Lu, Kathy;
19:21:9     Structurally Nanocrystalline-Electrically Single Crystalline ZnO-Reduced Graphene Oxide Composites
DOI:10.1021/nl5018089  JN:NANO LETTERS  PY:2014
  TC:5  AU: Nam, Woo Hyun;Kim, Bo Bae;Seo, Seul Gi;Lim, Young Soo;Kim, Jong-Young;Seo, Won-Seon;Choi, Won Kook;Park, Hyung-Ho;Lee, Jeong Yong;
19:21:10     Thermoelectric Properties of Nanograined ZnO
DOI:10.1007/s11664-009-1009-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:20  AU: Kinemuchi, Yoshiaki;Mikami, Masashi;Kobayashi, Keizo;Watari, Koji;Hotta, Yuji;
19:21:11     Transparent aluminium zinc oxide thin films with enhanced thermoelectric properties
DOI:10.1039/c3ta15052f  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:6  AU: Loureiro, Joana;Neves, Nuno;Barros, Raquel;Mateus, Tiago;Santos, Rafael;Filonovich, Sergej;Reparaz, Sebastian;Sotomayor-Torres, Clivia M.;Wyczisk, Frederic;Divay, Laurent;Martins, Rodrigo;Ferreira, Isabel;
19:21:12     Dynamic morphology instability in epitaxial ZnO/AZO (aluminum-doped ZnO) core-shell nanowires
DOI:10.1007/s10853-014-8322-0  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:0  AU: Wang, Hong-Bo;Ma, Fei;Li, Qian-Qian;Wang, Miao;Liu, Jia-Bin;Sun, Meng-Long;Ma, Da-Yan;Wang, Hong-Tao;Xu, Ke-Wei;
19:21:13     Thermoelectric properties of nanostructured Al-substituted ZnO thin films
DOI:10.1016/j.tsf.2012.07.046  JN:THIN SOLID FILMS  PY:2012
  TC:11  AU: Vogel-Schaeuble, Nina;Romanyuk, Yaroslav E.;Yoon, Songhak;Saji, Kachirayil J.;Populoh, Sascha;Pokrant, Simone;Aguirre, Myriam H.;Weidenkaff, Anke;
19:21:14     Enhanced power factor of Indium co-doped ZnO:Al thin films deposited by RF sputtering for high temperature thermoelectrics
DOI:10.1016/j.jallcom.2010.10.004  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:16  AU: Teehan, Sean;Efstathiadis, Harry;Haldar, Pradeep;
19:21:15     Synthesis of Al doped ZnO nanoparticles by aqueous coprecipitation
DOI:10.1016/j.powtec.2014.04.065  JN:POWDER TECHNOLOGY  PY:2014
  TC:4  AU: Giovannelli, F.;Ndimba, A. Ngo;Diaz-Chao, P.;Motelica-Heino, M.;Raynal, P. I.;Autret, C.;Delorme, F.;
19:21:16     An enhancement of a thermoelectric power factor in a Ga-doped ZnO system: A chemical compression by enlarged Ga solubility
DOI:10.1063/1.4729560  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:13  AU: Jung, Kwang-Hee;Lee, Kyu Hyoung;Seo, Won-Seon;Choi, Soon-Mok;
19:21:17     Effect of substrate on thermoelectric properties of Al-doped ZnO thin films
DOI:10.1063/1.4812401  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:7  AU: Mele, P.;Saini, S.;Honda, H.;Matsumoto, K.;Miyazaki, K.;Hagino, H.;Ichinose, A.;
19:21:18     Influence of aluminium doping on thermoelectric performance of atomic layer deposited ZnO thin films
DOI:10.1063/1.4831980  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Ruoho, Mikko;Pale, Ville;Erdmanis, Mikhail;Tittonen, Ilkka;
19:21:19     The influence of alpha- and gamma-Al2O3 phases on the thermoelectric properties of Al-doped ZnO
DOI:10.1016/j.jallcom.2012.12.091  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:6  AU: Han, Li;Ngo Van Nong;Le Thanh Hung;Holgate, Tim;Pryds, Nini;Ohtaki, Michitaka;Linderoth, Soren;
19:21:20     A Power-Generation Test for Oxide-Based Thermoelectric Modules Using p-Type Ca3Co4O9 and n-Type Ca0.9Nd0.1MnO3 Legs
DOI:10.1007/s11664-011-1868-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:12  AU: Lim, Chang-Hyun;Choi, Soon-Mok;Seo, Won-Seon;Park, Hyung-Ho;
19:21:21     Thermoelectric characteristics of (Zn,Al)O/hydroquinone superlattices
DOI:10.1039/c3ta12909h  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:12  AU: Tynell, Tommi;Terasaki, Ichiro;Yamauchi, Hisao;Karppinen, Maarit;
19:21:22     Synthesis of ZnO microwires and tetrapods by optical furnace
DOI:10.1016/j.matlet.2013.05.138  JN:MATERIALS LETTERS  PY:2013
  TC:4  AU: Giovannelli, F.;Rajonson, G.;Wolfman, J.;Delorme, F.;
19:21:23     Crystal orientation dependent thermoelectric properties of highly oriented aluminum-doped zinc oxide thin films
DOI:10.1063/1.4790644  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:9  AU: Abutaha, A. I.;Kumar, S. R. Sarath;Alshareef, H. N.;
19:21:24     Thermoelectric power factor enhancement of AZO/In-AZO quantum well multilayer structures as compared to bulk films
DOI:10.1016/j.jallcom.2012.04.029  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:6  AU: Teehan, Sean;Efstathiadis, Harry;Haldar, Pradeep;
19:21:25     Thermoelectric Properties of ZnO Ceramics Co-Doped with Al and Transition Metals
DOI:10.1007/s11664-011-1529-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:14  AU: Yamaguchi, Hiroyuki;Chonan, Yasunori;Oda, Manabu;Komiyama, Takao;Aoyama, Takashi;Sugiyama, Shigeaki;
19:21:26     Enhanced thermoelectric figure of merit in nanostructured ZnO by nanojunction effect
DOI:10.1063/1.4842035  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:3  AU: Wu, Zi-Hua;Xie, Hua-Qing;Zhai, Yong-Biao;
19:21:27     Thermal conductivity of self-assembled nano-structured ZnO bulk ceramics
DOI:10.1063/1.4745034  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Zhao, Yu;Yan, Yongke;Kumar, Ashok;Wang, Hsin;Porter, Wallace D.;Priya, Shashank;
19:21:28     Different magnetothermoelectric behavior in Al- and Ga-doped ZnO thin films
DOI:10.1016/j.jallcom.2013.11.060  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Liu, Han;Fang, Liang;Tian, Dexiang;Wu, Fang;Li, Wanjun;
19:21:29     Tuning of dimensionless figure of merit via boundary scattering in In2O3-delta
DOI:10.1063/1.3669392  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:4  AU: Kinemuchi, Yoshiaki;Guilmeau, Emmanuel;Lebedev, Oleg I.;Maignan, Antoine;
19:21:30     Unusual nonlinear strain dependence of valence-band splitting in ZnO
DOI:10.1103/PhysRevB.86.155205  JN:PHYSICAL REVIEW B  PY:2012
  TC:3  AU: Wu, Yelong;Chen, Guangde;Wei, Su-Huai;Al-Jassim, Mowafak;Yan, Yanfa;
19:21:31     Nanocomposite Derived from Core-Shell Nanoparticles via Creep Deformation of an Amorphous Silica Layer Below its Glass Transition Temperature
DOI:10.1111/jace.12150  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2013
  TC:0  AU: Kinemuchi, Yoshiaki;Towata, Atsuya;Yasuoka, Masaki;
19:21:32     The Influence of Spark Plasma Sintering Temperature on the Microstructure and Thermoelectric Properties of Al,Ga Dual-Doped ZnO
DOI:10.1007/s11664-012-2325-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Han, Li;Le Thanh Hung;Ngo Van Nong;Pryds, Nini;Linderoth, Soren;
19:21:33     Microstructural Evidence of Hall Mobility Anisotropy in c-Axis Textured Al-Doped ZnO
DOI:10.1111/j.1551-2916.2010.04373.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2011
  TC:7  AU: Kinemuchi, Yoshiaki;Nakano, Hiromi;Kaga, Hisashi;Tanaka, Satoshi;Uematsu, Keizo;Watari, Koji;
19:21:34     Influence of Thermal Aging Phenomena on Thermoelectric Properties of Al-Substituted ZnO
DOI:10.1007/s11664-011-1851-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Vogel-Schaeuble, Nina;Dujardin, Raphael;Weidenkaff, Anke;Aguirre, Myriam H.;
19:21:35     Thermoelectric Performance of ZnO:Al/ZnO:(Al,In) Quantum Well Multilayer Structures as a Function of Indium Composition and Band-Gap Offset at High Operating Temperatures
DOI:10.1007/s11664-012-2084-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:0  AU: Teehan, Sean;Efstathiadis, Harry;Haldar, Pradeep;
19:21:36     Origin of charge separation in III-nitride nanowires under strain
DOI:10.1063/1.3673323  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:1  AU: Wu, Yelong;Chen, Guangde;Wei, Su-Huai;Al-Jassim, Mowafak M.;Yan, Yanfa;
19:21:37     Thermoelectric Properties of Rare Earth-Doped SrTiO3 Nanocubes
DOI:10.1007/s11664-013-2937-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Kinemuchi, Yoshiaki;Mimura, Ken-ichi;Towata, Atsuya;Kato, Kazumi;
19:21:38     Influence of the Mixing Ways of Reactants on ZnO Morphology
DOI:10.1155/2013/289616  JN:JOURNAL OF NANOMATERIALS  PY:2013
  TC:1  AU: Yang, Lining;Xiang, Lan;
19:22:1     Optimization of thermoelectric properties on Bi2Te3 thin films deposited by thermal co-evaporation
DOI:10.1016/j.tsf.2009.08.038  JN:THIN SOLID FILMS  PY:2010
  TC:56  AU: Goncalves, L. M.;Couto, C.;Alpuim, P.;Rolo, A. G.;Voelklein, F.;Correia, J. H.;
19:22:2     Growth and transport properties of oriented bismuth telluride films
DOI:10.1016/j.jallcom.2011.02.123  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:23  AU: Deng, Yuan;Liang, Hui-min;Wang, Yao;Zhang, Zhi-wei;Tan, Ming;Cui, Jiao-lin;
19:22:3     Annealing effects on the structural and electrical transport properties of n-type Bi2Te2.7Se0.3 thin films deposited by flash evaporation
DOI:10.1016/j.apsusc.2010.05.069  JN:APPLIED SURFACE SCIENCE  PY:2010
  TC:23  AU: Duan, Xingkai;Jiang, Yuezhen;
19:22:4     Improved thermoelectric performance of highly-oriented nanocrystalline bismuth antimony telluride thin films
DOI:10.1016/j.tsf.2010.08.013  JN:THIN SOLID FILMS  PY:2010
  TC:18  AU: Takashiri, Masayuki;Tanaka, Saburo;Miyazaki, Koji;
19:22:5     Thermoelectric properties of nanostructured bismuth-telluride thin films grown using pulsed laser deposition
DOI:10.1016/j.jallcom.2014.07.018  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Phuoc Huu Le;Liao, Chien-Neng;Luo, Chih Wei;Leu, Jihperng;
19:22:6     Electrical and structural properties of Bi2Te3 and Sb2Te3 thin films grown by the nanoalloying method with different deposition patterns and compositions
DOI:10.1039/c2jm30363a  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:12  AU: Winkler, M.;Liu, X.;Koenig, J. D.;Buller, S.;Schuermann, U.;Kienle, L.;Bensch, W.;Boettner, H.;
19:22:7     Controlling the nanostructure of bismuth telluride by selective chemical vapour deposition from a single source precursor
DOI:10.1039/c4ta00341a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:5  AU: Benjamin, Sophie L.;de Groot, C. H. (Kees);Gurnani, Chitra;Hector, Andrew L.;Huang, Ruomeng;Koukharenko, Elena;Levasona, William;Reid, Gillian;
19:22:8     Room-temperature MBE deposition, thermoelectric properties, and advanced structural characterization of binary Bi2Te3 and Sb2Te3 thin films
DOI:10.1016/j.jallcom.2012.01.108  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:13  AU: Peranio, N.;Winkler, M.;Bessas, D.;Aabdin, Z.;Koenig, J.;Boettner, H.;Hermann, R. P.;Eibl, O.;
19:22:9     Bi2Te3-Sb2Te3 Superlattices Grown by Nanoalloying
DOI:10.1007/s11664-011-1578-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:15  AU: Koenig, Jan D.;Winkler, M.;Buller, S.;Bensch, W.;Schuermann, U.;Kienle, L.;Boettner, H.;
19:22:10     Preferential growth transformation of Bi0.5Sb1.5Te3 films induced by facile post-annealing process: Enhanced thermoelectric performance with layered structure
DOI:10.1016/j.tsf.2014.02.041  JN:THIN SOLID FILMS  PY:2014
  TC:0  AU: Zhu, Wei;Deng, Yuan;Wang, Yao;Luo, Bingwei;Cao, Lili;
19:22:11     Assessing Antisite Defect and Impurity Concentrations in Bi2Te3 Based Thin Films by High-Accuracy Chemical Analysis
DOI:10.1002/adfm.201300606  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2013
  TC:6  AU: Peranio, Nicola;Winkler, Markus;Duerrschnabel, Michael;Koenig, Jan;Eibl, Oliver;
19:22:12     Raman scattering investigation of Bi2Te3 hexagonal nanoplates prepared by a solvothermal process in the absence of NaOH
DOI:10.1016/j.jallcom.2011.02.015  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:10  AU: Liang, Yujie;Wang, Wenzhong;Zeng, Baoqing;Zhang, Guling;Huang, Jing;Li, Jin;Li, Te;Song, Yangyang;Zhang, Xiuyu;
19:22:13     Thermoelectric properties of Pb-doped bismuth telluride thin films deposited by magnetron sputtering
DOI:10.1016/j.jallcom.2013.12.136  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:10  AU: Zhou, Yang;Li, Liangliang;Tan, Qing;Li, Jing-Feng;
19:22:14     Facile synthesis of preferential Bi0.5Sb1.5Te3.0 nanolayered thin films with high power factor by the controllable layer thickness
DOI:10.1007/s11051-013-2088-1  JN:JOURNAL OF NANOPARTICLE RESEARCH  PY:2013
  TC:2  AU: Cao, Lili;Wang, Yao;Deng, Yuan;Gao, Hongli;Luo, Bingwei;Zhu, Wei;
19:22:15     Rapid thermal annealing effects on the microstructure and the thermoelectric properties of electrodeposited Bi2Te3 film
DOI:10.1016/j.apsusc.2013.03.112  JN:APPLIED SURFACE SCIENCE  PY:2013
  TC:6  AU: Rashid, Mohammad Mamunur;Cho, Kyung Ho;Chung, Gwiy-Sang;
19:22:16     Comparison of crystal growth and thermoelectric properties of n-type Bi-Se-Te and p-type Bi-Sb-Te nanocrystalline thin films: Effects of homogeneous irradiation with an electron beam
DOI:10.1063/1.4881676  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Takashiri, Masayuki;Imai, Kazuo;Uyama, Masato;Hagino, Harutoshi;Tanaka, Saburo;Miyazaki, Koji;Nishi, Yoshitake;
19:22:17     Synthesis and Thermal Instability of High-Quality Bi2Te3/Sb2Te3 Super lattice Thin Film Thermoelectrics
DOI:10.1021/cm5031574  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:2  AU: Hansen, Anna-Lena;Dankwort, Torben;Winkler, Markus;Ditto, Jeffrey;Johnson, Dave C.;Koenig, Jan D.;Bartholome, Kilian;Kienle, Lorenz;Bensch, Wolfgang;
19:22:18     Effects of homogeneous irradiation of electron beam on crystal growth and thermoelectric properties of nanocrystalline bismuth selenium telluride thin films
DOI:10.1016/j.jallcom.2014.05.146  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Takashiri, Masayuki;Imai, Kazuo;Uyama, Masato;Hagino, Harutoshi;Tanaka, Saburo;Miyazaki, Koji;Nishi, Yoshitake;
19:22:19     Electron or ion irradiation-induced phase-change mechanism between amorphous and crystalline state
DOI:10.1016/j.actamat.2010.12.025  JN:ACTA MATERIALIA  PY:2011
  TC:8  AU: Qin, W.;Szpunar, J. A.;Umakoshi, Y.;
19:22:20     Thermoelectric properties and micro-structure characteristics of annealed N-type bismuth telluride thin film
DOI:10.1016/j.apsusc.2013.04.138  JN:APPLIED SURFACE SCIENCE  PY:2013
  TC:5  AU: Cai Zhao-kun;Fan Ping;Zheng Zhuang-hao;Liu Peng-juan;Chen Tian-bao;Cai Xing-min;Luo Jing-ting;Liang Guang-xing;Zhang Dong-ping;
19:22:21     Improvement of thermoelectric properties of screen-printed Bi2Te3 thick film by optimization of the annealing process
DOI:10.1016/j.jallcom.2012.10.085  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:9  AU: We, Ju Hyung;Kim, Sun Jin;Kim, Gyung Soo;Cho, Byung Jin;
19:22:22     Electric current enhanced defect elimination in thermally annealed Bi-Sb-Te and Bi-Se-Te thermoelectric thin films
DOI:10.1063/1.3477184  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:12  AU: Liou, K. M.;Liao, C. N.;
19:22:23     Vapor Annealing as a Post-Processing Technique to Control Carrier Concentrations of Bi2Te3 Thin Films
DOI:10.1007/s11664-009-1038-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:12  AU: Taylor, Andrew;Mortensen, Clay;Rostek, Raimar;Nguyen, Ngoc;Johnson, David C.;
19:22:24     Sputtered p-Type Sb2Te3/(Bi,Sb)(2)Te-3 Soft Superlattices Created by Nanoalloying
DOI:10.1007/s11664-011-1854-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Winkler, M.;Liu, X.;Koenig, J. D.;Kirste, L.;Boettner, H.;Bensch, W.;Kienle, L.;
19:22:25     Sequential Evaporation of Bi-Te Thin Films with Controllable Composition and Their Thermoelectric Transport Properties
DOI:10.1007/s11664-013-2568-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Zhou, A. J.;Feng, L. D.;Cui, H. G.;Li, J. Z.;Jiang, G. Y.;Zhao, X. B.;
19:22:26     Influence of annealing on the structural and electrical transport properties of Bi0.5Sb1.5Te3.0 thin films deposited by co-sputtering
DOI:10.1007/s10853-013-7259-z  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:1  AU: Fang, Bo;Zeng, Zhigang;Yan, Xiaoxia;Hu, Zhiyu;
19:22:27     Preferred orientation of nanoscale order at the surface of amorphous Ge2Sb2Te5 films
DOI:10.1063/1.4831973  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Li, Tian Tony;Lee, Tae Hoon;Elliott, Stephen R.;Abelson, John R.;
19:22:28     Cross-plane thermal conductivity of highly oriented nanocrystalline bismuth antimony telluride thin films
DOI:10.1016/j.jallcom.2009.10.117  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:8  AU: Takashiri, Masayuki;Tanaka, Saburo;Miyazaki, Koji;Tsukamoto, Hiroshi;
19:22:29     Growth and thermoelectric properties of Bi2Te3 films deposited by modified MOCVD
DOI:10.1016/j.jcrysgro.2012.02.033  JN:JOURNAL OF CRYSTAL GROWTH  PY:2012
  TC:6  AU: You, HyunWoo;Baek, Seung Hyub;Kim, Kwang-Chon;Kwon, O-Jong;Kim, Jin-Sang;Park, Chan;
19:22:30     Growth of single-crystalline bismuth antimony telluride nanoplates on the surface of nanoparticle thin films
DOI:10.1016/j.jcrysgro.2013.03.028  JN:JOURNAL OF CRYSTAL GROWTH  PY:2013
  TC:2  AU: Takashiri, Masayuki;Tanaka, Saburo;Miyazaki, Koji;
19:22:31     Sb2Te3 and Bi2Te3 Thin Films Grown by Room-Temperature MBE
DOI:10.1007/s11664-011-1870-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:8  AU: Aabdin, Z.;Peranio, N.;Winkler, M.;Bessas, D.;Koenig, J.;Hermann, R. P.;Boettner, H.;Eibl, O.;
19:22:32     Pulsed electrodeposition and characterization of Bi2Te3-ySey films
DOI:10.1016/j.materresbull.2012.07.036  JN:MATERIALS RESEARCH BULLETIN  PY:2012
  TC:4  AU: Zou, Z. G.;Cai, K. F.;Chen, S.;Qin, Z.;
19:22:33     Fabrication of Flexible Thermoelectric Thin Film Devices by Inkjet Printing
DOI:10.1002/smll.201303126  JN:SMALL  PY:2014
  TC:6  AU: Lu, Ziyang;Layani, Michael;Zhao, Xiaoxu;Tan, Li Ping;Sun, Ting;Fan, Shufen;Yan, Qingyu;Magdassi, Shlomo;Hng, Huey Hoon;
19:22:34     Optimization in fabricating bismuth telluride thin films by ion beam sputtering deposition
DOI:10.1016/j.tsf.2012.03.086  JN:THIN SOLID FILMS  PY:2012
  TC:10  AU: Zheng, Z. H.;Fan, P.;Chen, T. B.;Cai, Z. K.;Liu, P. J.;Liang, G. X.;Zhang, D. P.;Cai, X. M.;
19:22:35     Improved performance of thermoelectric micro-device by integrating a layered Bi2Te3 film
DOI:10.1016/j.tsf.2013.08.091  JN:THIN SOLID FILMS  PY:2013
  TC:2  AU: Tan, Ming;Deng, Yuan;Wang, Yao;Zhang, Zhiwei;Luo, Bingwei;Lin, Zhen;
19:22:36     Determination of the Origin of Crystal Orientation for Nanocrystalline Bismuth Telluride-Based Thin Films Prepared by Use of the Flash Evaporation Method
DOI:10.1007/s11664-013-2896-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Takashiri, M.;Tanaka, S.;Miyazaki, K.;
19:22:37     Electron beam induced crystallization of sputter deposited amorphous alumina thin films
DOI:10.1016/j.matlet.2012.01.039  JN:MATERIALS LETTERS  PY:2012
  TC:10  AU: Murray, Jack;Song, Kai;Huebner, Wayne;O'Keefe, Matthew;
19:22:38     Effects of annealing temperature on thermoelectric properties of Bi2Te3 films prepared by co-sputtering
DOI:10.1016/j.apsusc.2013.03.130  JN:APPLIED SURFACE SCIENCE  PY:2013
  TC:4  AU: Wang, Xing;He, Hongcai;Wang, Ning;Miao, Lei;
19:22:39     Transport properties of thermoelectric Bi0.5Sb1.5Te3 and Bi2Te2.7Se0.3 thin films
DOI:10.1016/j.jallcom.2014.01.172  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Bourgault, D.;Schaechner, B.;Garampon, C. Giroud;Crozes, T.;Caillault, N.;Carbone, L.;
19:22:40     Deposition of Nanocrystalline Bi2Te3 Films Using a Modified MOCVD System
DOI:10.1007/s11664-010-1490-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:8  AU: You, HyunWoo;Bae, Sung-Hwan;Kim, Jongman;Kim, Jin-Sang;Park, Chan;
19:22:41     A Study on Sputtered Bi-Te Thermoelectric Films with Various Compositions: Microstructure Evolution and the Effects on Thermoelectric and Electrical Properties
DOI:10.1007/s11664-011-1751-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Oh, Minsub;Jeon, Seong-Jae;Jeon, Haseok;Hyun, Seungmin;Lee, Hoo-Jeong;
19:22:42     Effect of Initial Bulk Material Composition on Thermoelectric Properties of Bi2Te3 Thin Films
DOI:10.1007/s11664-012-2439-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Budnik, A. V.;Rogacheva, E. I.;Pinegin, V. I.;Sipatov, A. Yu.;Fedorov, A. G.;
19:22:43     Bi2Te3 thin films prepared by co-evaporation for CdTe thin film solar cells
DOI:10.1016/j.solmat.2013.10.039  JN:SOLAR ENERGY MATERIALS AND SOLAR CELLS  PY:2014
  TC:3  AU: Tang, Rongzhe;Wang, Zhouling;Li, Wei;Feng, Lianghuan;Zhang, Jingquan;Wu, Lili;Li, Bing;Zeng, Guanggen;Wang, Wenwu;
19:22:44     Thermoelectric properties and structural variations in Bi2Te3-xSx crystals
DOI:10.1063/1.3688485  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:3  AU: Wong-Ng, W.;Joress, H.;Martin, J.;Zavalij, P. Y.;Yan, Y.;Yang, J.;
19:22:45     Studies on sulfur doping and figure of merit in vapor grown Sb2Te3 platelet crystals
DOI:10.1016/j.jcrysgro.2014.12.031  JN:JOURNAL OF CRYSTAL GROWTH  PY:2015
  TC:0  AU: Thankamma, G.;Kunjomana, A. G.;
19:22:46     Development of a Measurement Method for the Thermal Conductivity of a Thick Film Prepared by a Screen-Printing Technique
DOI:10.1007/s11664-011-1857-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: We, Ju Hyung;Lee, Heon Bok;Gim, Sun Jin;Kim, Gyung Soo;Kim, Kukjoo;Choi, Kyung Cheol;Sul, Onejae;Cho, Byung Jin;
19:23:1     Power Factor Enhancement by Modulation Doping in Bulk Nanocomposites
DOI:10.1021/nl201206d  JN:NANO LETTERS  PY:2011
  TC:94  AU: Zebarjadi, Mona;Joshi, Giri;Zhu, Gaohua;Yu, Bo;Minnich, Austin;Lan, Yucheng;Wang, Xiaowei;Dresselhaus, Mildred;Ren, Zhifeng;Chen, Gang;
19:23:2     High efficiency semimetal/semiconductor nanocomposite thermoelectric materials
DOI:10.1063/1.3514145  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:43  AU: Zide, J. M. O.;Bahk, J-H.;Singh, R.;Zebarjadi, M.;Zeng, G.;Lu, H.;Feser, J. P.;Xu, D.;Singer, S. L.;Bian, Z. X.;Majumdar, A.;Bowers, J. E.;Shakouri, A.;Gossard, A. C.;
19:23:3     Semimetal/Semiconductor Nanocomposites for Thermoelectrics
DOI:10.1002/adma.201100449  JN:ADVANCED MATERIALS  PY:2011
  TC:17  AU: Lu, Hong;Burke, Peter G.;Gossard, Arthur C.;Zeng, Gehong;Ramu, Ashok T.;Bahk, Je-Hyeong;Bowers, John E.;
19:23:4     Enhancing the Thermoelectric Power Factor by Using Invisible Dopants
DOI:10.1002/adma.201204802  JN:ADVANCED MATERIALS  PY:2013
  TC:11  AU: Zebarjadi, Mona;Liao, Bolin;Esfarjani, Keivan;Dresselhaus, Mildred;Chen, Gang;
19:23:5     Electron energy filtering by a nonplanar potential to enhance the thermoelectric power factor in bulk materials
DOI:10.1103/PhysRevB.87.075204  JN:PHYSICAL REVIEW B  PY:2013
  TC:9  AU: Bahk, Je-Hyeong;Bian, Zhixi;Shakouri, Ali;
19:23:6     Low-Temperature Thermoelectric Power Factor Enhancement by Controlling Nanoparticle Size Distribution
DOI:10.1021/nl103581z  JN:NANO LETTERS  PY:2011
  TC:20  AU: Zebarjadi, Mona;Esfarjani, Keivan;Bian, Zhixi;Shakouri, Ali;
19:23:7     Rigorous calculation of the Seebeck coefficient and mobility of thermoelectric materials
DOI:10.1063/1.3366712  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:22  AU: Ramu, Ashok T.;Cassels, Laura E.;Hackman, Nathan H.;Lu, Hong;Zide, Joshua M. O.;Bowers, John E.;
19:23:8     Resonant carrier scattering by core-shell nanoparticles for thermoelectric power factor enhancement
DOI:10.1063/1.3673615  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:8  AU: Bahk, Je-Hyeong;Santhanam, Parthiban;Bian, Zhixi;Ram, Rajeev;Shakouri, Ali;
19:23:9     Thermoelectric figure of merit of (In0.53Ga0.47As)(0.8)(In0.52Al0.48As)(0.2) III-V semiconductor alloys
DOI:10.1103/PhysRevB.81.235209  JN:PHYSICAL REVIEW B  PY:2010
  TC:14  AU: Bahk, Je-Hyeong;Bian, Zhixi;Zebarjadi, Mona;Zide, Joshua M. O.;Lu, Hong;Xu, Dongyan;Feser, Joseph P.;Zeng, Gehong;Majumdar, Arun;Gossard, Arthur C.;Shakouri, Ali;Bowers, John E.;
19:23:10     Significantly Enhanced Thermoelectric Performance in n-type Heterogeneous BiAgSeS Composites
DOI:10.1002/adfm.201402211  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2014
  TC:3  AU: Wu, Di;Pei, Yanling;Wang, Zhe;Wu, Haijun;Huang, Li;Zhao, Li-Dong;He, Jiaqing;
19:23:11     Thermoelectric power factor enhancement by ionized nanoparticle scattering
DOI:10.1063/1.3625950  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:7  AU: Bahk, Je-Hyeong;Bian, Zhixi;Zebarjadi, Mona;Santhanam, Parthiban;Ram, Rajeev;Shakouri, Ali;
19:23:12     Thermoelectric properties of epitaxial TbAs:InGaAs nanocomposites
DOI:10.1063/1.4711095  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:5  AU: Clinger, Laura E.;Pernot, Gilles;Buehl, Trevor E.;Burke, Peter G.;Gossard, Arthur C.;Palmstrom, Christopher J.;Shakouri, Ali;Zide, Joshua M. O.;
19:23:13     The impact of commonly used approximations on the computation of the Seebeck coefficient and mobility of polar semiconductors
DOI:10.1063/1.4764517  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:1  AU: Ramu, Ashok T.;Bowers, John E.;
19:23:14     Compositional disorder and its effect on the thermoelectric performance of Zn3P2 nanowire-copper nanoparticle composites
DOI:10.1088/0957-4484/25/12/125402  JN:NANOTECHNOLOGY  PY:2014
  TC:1  AU: Brockway, Lance;Vasiraju, Venkata;Vaddiraju, Sreeram;
19:23:15     Fractal Levy Heat Transport in Nanoparticle Embedded Semiconductor Alloys
DOI:10.1021/nl5044665  JN:NANO LETTERS  PY:2015
  TC:0  AU: Mohammed, Amr M. S.;Koh, Yee Rui;Vermeersch, Bjorn;Lu, Hong;Burke, Peter G.;Gossard, Arthur C.;Shakouri, Ali;
19:23:16     Electrically active Er doping in InAs, In0.53Ga0.47As, and GaAs
DOI:10.1063/1.4769248  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:0  AU: Burke, Peter G.;Ismer, Lars;Lu, Hong;Frantz, Elan;Janotti, Anderson;Van de Walle, Chris G.;Bowers, John E.;Gossard, Arthur C.;
19:23:17     Effect of Excess Na on the Morphology and Thermoelectric Properties of Na (x) Pb1-x Te0.85Se0.15
DOI:10.1007/s11664-013-2872-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Kang, Chanyoung;Wang, Hongchao;Kim, HeeJin;Kim, Sung-Jin;Kim, Woochul;
19:23:18     Thermoelectric Transport in InGaAs with High Concentration of Rare-Earth TbAs Embedded Nanoparticles
DOI:10.1007/s11664-012-2097-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Selezneva, Ekaterina;Clinger, Laura E.;Ramu, Ashok T.;Pernot, Gilles;Buehl, Trevor E.;Favaloro, Tela;Bahk, Je-Hyeong;Bian, Zhixi;Bowers, John E.;Zide, Joshua M. O.;Shakouri, Ali;
19:23:19     Electrical properties of Er-doped In(0.53)Ga(0.47)As
DOI:10.1116/1.3559480  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2011
  TC:6  AU: Burke, Peter G.;Lu, Hong;Rudawski, Nicholas G.;Stemmer, Susanne;Gossard, Arthur C.;Bahk, Je-Hyeong;Bowers, John E.;
19:23:20     Observation of Self-Assembled Core-Shell Structures in Epitaxially Embedded TbErAs Nanoparticles
DOI:10.1002/smll.201400891  JN:SMALL  PY:2014
  TC:1  AU: Dongmo, Pernell;Hartshorne, Matthew;Cristiani, Thomas;Jablonski, Michael L.;Bomberger, Cory;Isheim, Dieter;Seidman, David N.;Taheri, Mitra L.;Zide, Joshua;
19:23:21     Properties of molecular beam epitaxially grown ScAs:InGaAs and ErAs:InGaAs nanocomposites for thermoelectric applications
DOI:10.1016/j.jcrysgro.2010.09.078  JN:JOURNAL OF CRYSTAL GROWTH  PY:2011
  TC:4  AU: Liu, X.;Ramu, A. T.;Bowers, J. E.;Palmstrom, C. J.;Burke, P. G.;Lu, H.;Gossard, A. C.;
19:23:22     Controlling n-Type Carrier Density from Er Doping of InGaAs with MBE Growth Temperature
DOI:10.1007/s11664-012-2050-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Burke, Peter G.;Buehl, Trevor E.;Gilles, Pernot;Lu, Hong;Shakouri, Ali;Palmstrom, Chris J.;Bowers, John E.;Gossard, Arthur C.;
19:23:23     Growth and characterization of TbAs:GaAs nanocomposites
DOI:10.1116/1.3555388  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2011
  TC:7  AU: Cassels, Laura E.;Buehl, Trevor E.;Burke, Peter G.;Palmstrom, Chris J.;Gossard, Art C.;Pernot, Gilles;Shakouri, Ali;Haughn, Chelsea R.;Doty, Matthew F.;Zide, Joshua M. O.;
19:23:24     High-Temperature Thermoelectric Characterization of III-V Semiconductor Thin Films by Oxide Bonding
DOI:10.1007/s11664-010-1258-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:8  AU: Bahk, Je-Hyeong;Zeng, Gehong;Zide, Joshua M. O.;Lu, Hong;Singh, Rajeev;Liang, Di;Ramu, Ashok T.;Burke, Peter;Bian, Zhixi;Gossard, Arthur C.;Shakouri, Ali;Bowers, John E.;
19:23:25     Thermal conductivity of InAs quantum dot stacks using AlAs strain compensating layers on InP substrate
DOI:10.1016/j.mseb.2012.03.053  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2012
  TC:1  AU: Salman, S.;Folliot, H.;Le Pouliquen, J.;Chevalier, N.;Rohel, T.;Paranthoen, C.;Bertru, N.;Labbe, C.;Letoublon, A.;Le Corre, A.;
19:23:26     Thermoelectric transport in the coupled valence-band model
DOI:10.1063/1.3537826  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:3  AU: Ramu, Ashok T.;Cassels, Laura E.;Hackman, Nathan H.;Lu, Hong;Zide, Joshua M. O.;Bowers, John E.;
19:23:27     High temperature thermoreflectance imaging and transient Harman characterization of thermoelectric energy conversion devices
DOI:10.1063/1.4885198  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Favaloro, T.;Ziabari, A.;Bahk, J-H;Burke, P.;Lu, H.;Bowers, J.;Gossard, A.;Bian, Z.;Shakouri, A.;
19:23:28     Thermoelectric properties of single crystal Sc1-xErxAs:InGaAs nanocomposites
DOI:10.1116/1.4810961  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2013
  TC:0  AU: Koltun, Rachel;Hall, Jacqueline L.;Mates, Thomas E.;Bowers, John E.;Schultz, Brian D.;Palmstrom, Christopher J.;
19:23:29     High efficiency semimetal/semiconductor nanocomposite thermoelectric materials (vol 108, 123702, 2010)
DOI:10.1063/1.3630947  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:1  AU: Zide, J. M. O.;Bahk, J. -H.;Singh, R.;Zebarjadi, M.;Zeng, G.;Lu, H.;Feser, J. P.;Xu, D.;Singer, S. L.;Bian, Z. X.;Majumdar, A.;Bowers, J. E.;Shakouri, A.;Gossard, A. C.;
19:23:30     Measurements of Microhardness and Thermal and Electrical Properties of the Binary Zn-0.7wt.%Cu Hypoperitectic Alloy
DOI:10.1007/s11664-009-1061-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:6  AU: Kaya, H.;Boyuk, U.;Engin, S.;Cadirli, E.;Marasli, N.;
19:23:31     Controlling n-Type Carrier Density from Er Doping of InGaAs with MBE Growth Temperature (vol 41, pg 948, 2012)
DOI:10.1007/s11664-012-2224-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:0  AU: Burke, Peter G.;Buehl, Trevor E.;Pernot, Gilles;Lu, Hong;Shakouri, Ali;Palmstrom, Chris J.;Bowers, John E.;Gossard, Arthur C.;
19:23:32     Methodology for Minimizing Losses for the Harman Technique at High Temperatures
DOI:10.1007/s11664-011-1847-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: McCarty, R.;Thompson, J.;Sharp, J.;Thompson, A.;Bierschenk, J.;
19:23:33     Tuning of thermoelectric properties by embedding ErAs nanoparticles in In0.53Ga0.47As crystalline semiconductors
DOI:10.1007/s11051-012-1362-y  JN:JOURNAL OF NANOPARTICLE RESEARCH  PY:2013
  TC:2  AU: Choudhary, K. K.;
19:24:1     On Landauer versus Boltzmann and full band versus effective mass evaluation of thermoelectric transport coefficients
DOI:10.1063/1.3291120  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:49  AU: Jeong, Changwook;Kim, Raseong;Luisier, Mathieu;Datta, Supriyo;Lundstrom, Mark;
19:24:2     Anisotropy and boundary scattering in the lattice thermal conductivity of silicon nanomembranes
DOI:10.1103/PhysRevB.82.045319  JN:PHYSICAL REVIEW B  PY:2010
  TC:38  AU: Aksamija, Z.;Knezevic, I.;
19:24:3     Thermoelectric properties of ultrathin silicon nanowires
DOI:10.1103/PhysRevB.86.115328  JN:PHYSICAL REVIEW B  PY:2012
  TC:15  AU: Ramayya, E. B.;Maurer, L. N.;Davoody, A. H.;Knezevic, I.;
19:24:4     In-plane phonon transport in thin films
DOI:10.1063/1.3296394  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:45  AU: Turney, J. E.;McGaughey, A. J. H.;Amon, C. H.;
19:24:5     Size-dependent model for thin film and nanowire thermal conductivity
DOI:10.1063/1.3644163  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:25  AU: McGaughey, Alan J. H.;Landry, Eric S.;Sellan, Daniel P.;Amon, Cristina H.;
19:24:6     Thermal conductivity of bulk and thin-film silicon: A Landauer approach
DOI:10.1063/1.4710993  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:24  AU: Jeong, Changwook;Datta, Supriyo;Lundstrom, Mark;
19:24:7     Anomalous diameter dependence of thermal transport in ultra-narrow Si nanowires
DOI:10.1063/1.4858375  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:5  AU: Karamitaheri, Hossein;Neophytou, Neophytos;Kosina, Hans;
19:24:8     Ballistic phonon transport in ultra-thin silicon layers: Effects of confinement and orientation
DOI:10.1063/1.4808100  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:6  AU: Karamitaheri, Hossein;Neophytou, Neophytos;Kosina, Hans;
19:24:9     Ultrathin GaN nanowires: Electronic, thermal, and thermoelectric properties
DOI:10.1103/PhysRevB.89.115313  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Davoody, A. H.;Ramayya, E. B.;Maurer, L. N.;Knezevic, I.;
19:24:10     Thermal conductivity of silicon nanomeshes: Effects of porosity and roughness
DOI:10.1063/1.4879242  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Wolf, Stefanie;Neophytou, Neophytos;Kosina, Hans;
19:24:11     Use of Atomistic Phonon Dispersion and Boltzmann Transport Formalism to Study the Thermal Conductivity of Narrow Si Nanowires
DOI:10.1007/s11664-013-2884-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Karamitaheri, Hossein;Neophytou, Neophytos;Kosina, Hans;
19:24:12     On the best bandstructure for thermoelectric performance: A Landauer perspective
DOI:10.1063/1.4727855  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:10  AU: Jeong, Changwook;Kim, Raseong;Lundstrom, Mark S.;
19:24:13     Monte Carlo simulation of phonon transport in silicon including a realistic dispersion relation
DOI:10.1063/1.4826367  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Kukita, K.;Kamakura, Y.;
19:24:14     Calculation of Confined Phonon Spectrum in Narrow Silicon Nanowires Using the Valence Force Field Method
DOI:10.1007/s11664-013-2533-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:7  AU: Karamitaheri, Hossein;Neophytou, Neophytos;Taheri, Mohsen Karami;Faez, Rahim;Kosina, Hans;
19:24:15     Full dispersion versus Debye model evaluation of lattice thermal conductivity with a Landauer approach
DOI:10.1063/1.3567111  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:25  AU: Jeong, Changwook;Datta, Supriyo;Lundstrom, Mark;
19:24:16     Lattice thermal conductivity of a silicon nanowire under surface stress
DOI:10.1063/1.3583668  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:12  AU: Liangruksa, Monrudee;Puri, Ishwar K.;
19:24:17     Atomistic modeling of anharmonic phonon-phonon scattering in nanowires
DOI:10.1103/PhysRevB.86.245407  JN:PHYSICAL REVIEW B  PY:2012
  TC:2  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;
19:24:18     Determining the Electronic Performance Limitations in Top-Down-Fabricated Si Nanowires with Mean Widths Down to 4 nm
DOI:10.1021/n15015298  JN:NANO LETTERS  PY:2014
  TC:0  AU: Mirza, Muhammad M.;MacLaren, Donald A.;Samarelli, Antonio;Holmes, Barry M.;Zhou, Haiping;Thoms, Stephen;MacIntyre, Douglas;Paul, Douglas J.;
19:24:19     Thermal transport and Matthiessen's rule in ultra-scaled Si nanowires
DOI:10.1063/1.4821117  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:1  AU: Luisier, Mathieu;
19:24:20     Sensitivity analysis and optimization of thin-film thermoelectric coolers
DOI:10.1063/1.4807282  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Choday, Sri Harsha;Roy, Kaushik;
19:24:21     Investigation of thermal transport degradation in rough Si nanowires
DOI:10.1063/1.3644993  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:13  AU: Luisier, Mathieu;
19:24:22     Very high thermoelectric power factor in a Fe3O4/SiO2/p-type Si(100) heterostructure
DOI:10.1063/1.4737409  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:4  AU: Viskadourakis, Z.;Parames, M. L.;Conde, O.;Zervos, M.;Giapintzakis, J.;
19:24:23     On Electronic Structure Engineering and Thermoelectric Performance
DOI:10.1007/s11664-011-1533-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Jeong, Changwook;Lundstrom, Mark;
19:24:24     Current transport and thermoelectric properties of very high power factor Fe3O4/SiO2/p-type Si(001) devices
DOI:10.1063/1.4861729  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Zervos, M.;Viskadourakis, Z.;Athanasopoulos, G.;Flores, R.;Conde, O.;Giapintzakis, J.;
19:25:1     Thermoelectric properties of FeGa3-type narrow-bandgap intermetallic compounds Ru(Ga,In)(3): Experimental and calculational studies
DOI:10.1063/1.4729772  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:9  AU: Takagiwa, Y.;Kitahara, K.;Matsubayashi, Y.;Kimura, K.;
19:25:2     Effect of electron doping on thermoelectric properties for narrow-bandgap intermetallic compound RuGa2
DOI:10.1063/1.4775602  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:7  AU: Takagiwa, Y.;Kitahara, K.;Kimura, K.;
19:25:3     Electronic correlations in FeGa3 and the effect of hole doping on its magnetic properties
DOI:10.1103/PhysRevB.89.195102  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Gamza, M. B.;Tomczak, J. M.;Brown, C.;Puri, A.;Kotliar, G.;Aronson, M. C.;
19:25:4     Effect of Carrier-Doping on the Thermoelectric Properties of Narrow-Bandgap (Fe,Ru)Ga-3 Intermetallic Compounds
DOI:10.1007/s11664-014-3008-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Takagiwa, Y.;Matsuura, Y.;Kimura, K.;
19:25:5     Itinerant origin of the ferromagnetic quantum critical point in Fe(Ga,Ge)(3)
DOI:10.1103/PhysRevB.88.064422  JN:PHYSICAL REVIEW B  PY:2013
  TC:5  AU: Singh, David J.;
19:25:6     Thermoelectric Properties of Binary Semiconducting Intermetallic Compounds Al2Ru and Ga2Ru Synthesized by Spark Plasma Sintering Process
DOI:10.2320/matertrans.E-M2010807  JN:MATERIALS TRANSACTIONS  PY:2010
  TC:20  AU: Takagiwa, Yoshiki;Matsubayashi, Yuka;Suzumura, Akitoshi;Okada, Junpei Tamura;Kimura, Kaoru;
19:25:7     Electronic and thermoelectric properties of RuIn3-x A(x) (A = Sn, Zn)
DOI:10.1103/PhysRevB.85.035207  JN:PHYSICAL REVIEW B  PY:2012
  TC:15  AU: Kasinathan, Deepa;Wagner, Maik;Koepernik, Klaus;Cardoso-Gil, Raul;Grin, Yu.;Rosner, Helge;
19:25:8     Composition dependence of thermoelectric properties of binary narrow-gap Ga67-xRu33+x compound
DOI:10.1016/j.jallcom.2010.07.204  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:14  AU: Takagiwa, Y.;Okada, J. T.;Kimura, K.;
19:25:9     Effects of Transition Metal (TM: Co, Rh, Ni and Pd) Substitution for Ru on Thermoelectric Properties for Intermetallic Compound RuGa2
DOI:10.2320/matertrans.E-M2013804  JN:MATERIALS TRANSACTIONS  PY:2013
  TC:3  AU: Takagiwa, Y.;Kitahara, K.;Kimura, K.;
19:25:10     Ferromagnetic instability in a doped band gap semiconductor FeGa3
DOI:10.1103/PhysRevB.86.144421  JN:PHYSICAL REVIEW B  PY:2012
  TC:7  AU: Umeo, K.;Hadano, Y.;Narazu, S.;Onimaru, T.;Avila, M. A.;Takabatake, T.;
19:25:11     Synthesis and thermoelectric properties of silicon- and manganese-doped Ru1-xFexAl2
DOI:10.1016/j.jallcom.2009.12.048  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:12  AU: Takahashi, Shoji;Muta, Hiroaki;Kurosaki, Ken;Yamanaka, Shinsuke;
19:25:12     RuIn3-xSnx, RuIn3-xZnx, and Ru1-yIn3-new thermoelectrics based on the semiconductor RuIn3
DOI:10.1557/jmr.2011.153  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:14  AU: Wagner, M.;Cardoso-Gil, R.;Oeschler, N.;Rosner, H.;Grin, Yu;
19:25:13     Thermoelectric figure of merit enhancement of intermetallic compound RuGa2 by ball-milling
DOI:10.1016/j.jallcom.2013.09.175  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Sato, N.;Matsuura, Y.;Kitahara, K.;Takagiwa, Y.;Kimura, K.;
19:25:14     Thermoelectric Properties of Si2Ti-Type Al-Mn-Si Alloys
DOI:10.2320/matertrans.M2010022  JN:MATERIALS TRANSACTIONS  PY:2010
  TC:11  AU: Takeuchi, Tsunehiro;Toyama, Yasuhiro;Yamamoto, Akio;Hazama, Hirofumi;Asahi, Ryoji;
19:25:15     Effect of chemical doping on the thermoelectric properties of FeGa3
DOI:10.1063/1.3585843  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:12  AU: Haldolaarachchige, N.;Karki, A. B.;Phelan, W. Adam;Xiong, Y. M.;Jin, R.;Chan, Julia Y.;Stadler, S.;Young, D. P.;
19:25:16     Thermoelectric Properties of the Narrow-Gap Intermetallic Compound Ga2Ru: Effect of Re Substitution for Ru Atoms
DOI:10.1007/s11664-011-1543-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:6  AU: Takagiwa, Yoshiki;Okada, Junpei Tamura;Kimura, Kaoru;
19:25:17     Effect of Ru Substitution for Mn in the Si2Ti-Type Al-Mn-Si Alloy
DOI:10.1007/s11664-012-2101-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Yamamoto, Akio;Takeuchi, Tsunehiro;
19:25:18     Influence of p- and n-type doping on the transport properties of the Nowotny chimney-ladder compounds RuAl2 and RuGa2
DOI:10.1557/jmr.2011.126  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:7  AU: Ponnambalam, V.;Lehr, Gloria;Morelli, Donald T.;
19:25:19     Interplay between localized and itinerant magnetism in Co-substituted FeGa3
DOI:10.1103/PhysRevB.89.104426  JN:PHYSICAL REVIEW B  PY:2014
  TC:2  AU: Gippius, A. A.;Verchenko, V. Yu;Tkachev, A. V.;Gervits, N. E.;Lue, C. S.;Tsirlin, A. A.;Buettgen, N.;Kraetschmer, W.;Baenitz, M.;Shatruk, M.;Shevelkov, A. V.;
19:25:20     A first principle study of electronic band structures and effective mass tensors of thermoelectric materials: PbTe, Mg2Si, FeGa3 and CoSb3
DOI:10.1016/j.commatsci.2014.01.011  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2014
  TC:1  AU: Sharma, Sonu;Pandey, Sudhir K.;
19:25:21     Thermoelectric performance of intermetallic FeGa3 with Co doping
DOI:10.1016/j.jallcom.2014.04.117  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Ramachandran, B.;Syu, K. Z.;Kuo, Y. K.;Gippius, A. A.;Shevelkov, A. V.;Verchenko, V. Yu.;Lue, C. S.;
19:25:22     Substitution Solid Solutions FeGa3-xEx and Their Thermoelectric Properties
DOI:10.1007/s11664-013-2888-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Wagner-Reetz, M.;Cardoso-Gil, R.;Grin, Yu.;
19:25:23     Evidence for a spin singlet state in the intermetallic semiconductor FeGa3
DOI:10.1103/PhysRevB.82.155202  JN:PHYSICAL REVIEW B  PY:2010
  TC:8  AU: Yin, Z. P.;Pickett, W. E.;
19:25:24     Electronic structure of a narrow-gap semiconductor FeGa3 investigated by photoemission and inverse photoemission spectroscopies
DOI:10.1103/PhysRevB.83.245116  JN:PHYSICAL REVIEW B  PY:2011
  TC:7  AU: Arita, M.;Shimada, K.;Utsumi, Y.;Morimoto, O.;Sato, H.;Namatame, H.;Taniguchi, M.;Hadano, Y.;Takabatake, T.;
19:25:25     Thermoelectric properties of intermetallic semiconducting RuIn3 and metallic IrIn3
DOI:10.1063/1.4793493  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Haldolaarachchige, N.;Phelan, W. A.;Xiong, Y. M.;Jin, R.;Chan, J. Y.;Stadler, S.;Young, D. P.;
19:25:26     Prediction of stable insulating intermetallic compounds
DOI:10.1103/PhysRevB.87.100201  JN:PHYSICAL REVIEW B  PY:2013
  TC:0  AU: Mihalkovic, M.;Krajci, M.;Widom, M.;
19:25:27     Thermodynamic and Transport Study of Electron- and Hole-Doped MGa3 Single Crystals (M = Fe, Co)
DOI:10.1007/s11664-013-2932-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Cabrera-Baez, M.;Thizay Magnavita, E.;Ribeiro, Raquel A.;Avila, Marcos A.;
19:25:28     Thermoelectric properties of Al-(Mn,X)-Si C54-phase (X = Ru and Re)
DOI:10.1063/1.4861643  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Yamamoto, Akio;Miyazaki, Hidetoshi;Takeuchi, Tsunehiro;
19:25:29     Thermoelectric Properties of Si2Ti-Type Al-(Mn,Cr,Fe)-Si Alloys
DOI:10.1007/s11664-011-1531-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Toyama, Yasuhiro;Hazama, Hirofumi;Asahi, Ryoji;Takeuchi, Tsunehiro;
19:25:30     Thermoelectric Properties of Al-Ga-Pd-Re Icosahedral Quasicrystals
DOI:10.2320/matertrans.E-M2014825  JN:MATERIALS TRANSACTIONS  PY:2014
  TC:0  AU: Takagiwa, Y.;Kamimura, T.;Okada, J. T.;Kimura, K.;
19:25:31     Pressure-induced metal-insulator transition and absence of magnetic order in FeGa3 from a first-principles study
DOI:10.1103/PhysRevB.86.235202  JN:PHYSICAL REVIEW B  PY:2012
  TC:6  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD)  in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum  coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;
19:25:32     Thermoelectric Properties of Icosahedral Al-Pd-(Mn or Re) Quasicrystals: Improvement of the ZT Value by Ga Substitution for Al Atoms
DOI:10.1007/s11664-009-1065-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:6  AU: Takagiwa, Yoshiki;Kamimura, Takahiko;Okada, Junpei Tamura;Kimura, Kaoru;
19:25:33     First-principle studies of the structural, electronic and optical properties of the intermetallics semiconducting compounds RuAl2, RuGa2 and OsAl2
DOI:10.1016/j.commatsci.2012.02.040  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2012
  TC:2  AU: Laksari, S.;Khatir, R.;Rozale, H.;Mebsout, R.;Mokadem, A.;Sayede, A.;Chahed, A.;Benhelal, O.;
19:25:34     Optoelectronic properties of Mg2Si semiconducting layers with high absorption coefficients
DOI:10.1063/1.3642965  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:7  AU: Kato, Takashi;Sago, Yuichiro;Fujiwara, Hiroyuki;
19:26:1     Enhancement of Thermoelectric Properties by Modulation-Doping in Silicon Germanium Alloy Nanocomposites
DOI:10.1021/nl3003045  JN:NANO LETTERS  PY:2012
  TC:71  AU: Yu, Bo;Zebarjadi, Mona;Wang, Hui;Lukas, Kevin;Wang, Hengzhi;Wang, Dezhi;Opeil, Cyril;Dresselhaus, Mildred;Chen, Gang;Ren, Zhifeng;
19:26:2     Large Thermoelectric Power Factor Enhancement Observed in InAs Nanowires
DOI:10.1021/nl401501j  JN:NANO LETTERS  PY:2013
  TC:29  AU: Wu, Phillip M.;Gooth, Johannes;Zianni, Xanthippi;Svensson, Sofia Fahlvik;Gluschke, Jan Goran;Dick, Kimberly A.;Thelander, Claes;Nielsch, Kornelius;Linke, Heiner;
19:26:3     Thermal conductivity of indium arsenide nanowires with wurtzite and zinc blende phases
DOI:10.1103/PhysRevB.83.205416  JN:PHYSICAL REVIEW B  PY:2011
  TC:33  AU: Zhou, Feng;Moore, Arden L.;Bolinsson, Jessica;Persson, Ann;Froberg, Linus;Pettes, Michael T.;Kong, Huijun;Rabenberg, Lew;Caroff, Philippe;Stewart, Derek A.;Mingo, Natalio;Dick, Kimberly A.;Samuelson, Lars;Linke, Heiner;Shi, Li;
19:26:4     One-Dimensional Quantum Confinement Effect Modulated Thermoelectric Properties in InAs Nanowires
DOI:10.1021/nl304194c  JN:NANO LETTERS  PY:2012
  TC:44  AU: Tian, Yuan;Sakr, Mohammed R.;Kinder, Jesse M.;Liang, Dong;MacDonald, Michael J.;Qiu, Richard L. J.;Gao, Hong-Jun;Gao, Xuan P. A.;
19:26:5     Thermoelectric power factor enhancement with gate-all-around silicon nanowires
DOI:10.1063/1.4870962  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Curtin, Benjamin M.;Bowers, John E.;
19:26:6     Gate-Modulated Thermoelectric Power Factor of Hole Gas in Ge-Si Core-Shell Nanowires
DOI:10.1021/nl304619u  JN:NANO LETTERS  PY:2013
  TC:28  AU: Moon, Jaeyun;Kim, Ji-Hun;Chen, Zack C. Y.;Xiang, Jie;Chen, Renkun;
19:26:7     Giant Thermovoltage in Single InAs Nanowire Field-Effect Transistors
DOI:10.1021/nl401482p  JN:NANO LETTERS  PY:2013
  TC:13  AU: Roddaro, Stefano;Ercolani, Daniele;Safeen, Mian Akif;Suomalainen, Soile;Rossella, Francesco;Giazotto, Francesco;Sorba, Lucia;Beltram, Fabio;
19:26:8     Field-Effect Modulation of Thermoelectric Properties in Multigated Silicon Nanowires
DOI:10.1021/nl403079a  JN:NANO LETTERS  PY:2013
  TC:10  AU: Curtin, Benjamin M.;Codecido, Emilio A.;Kraemer, Stephan;Bowers, John E.;
19:26:9     Thermoelectric properties of electrically gated bismuth telluride nanowires
DOI:10.1103/PhysRevB.81.075316  JN:PHYSICAL REVIEW B  PY:2010
  TC:18  AU: Bejenari, I.;Kantser, V.;Balandin, A. A.;
19:26:10     Enhancement of thermoelectric performance in InAs nanotubes by tuning quantum confinement effect
DOI:10.1063/1.4869745  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Zhou, Wu-Xing;Tan, Shihua;Chen, Ke-Qiu;Hu, Wenping;
19:26:11     Gated Si nanowires for large thermoelectric power factors
DOI:10.1063/1.4893977  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Neophytou, Neophytos;Kosina, Hans;
19:26:12     Quantitative Determination of Contributions to the Thermoelectric Power Factor in Si Nanostructures
DOI:10.1103/PhysRevLett.105.256601  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:20  AU: Ryu, Hyuk Ju;Aksamija, Z.;Paskiewicz, D. M.;Scott, S. A.;Lagally, M. G.;Knezevic, I.;Eriksson, M. A.;
19:26:13     Fully tunable, non-invasive thermal biasing of gated nanostructures suitable for low-temperature studies
DOI:10.1088/0957-4484/25/38/385704  JN:NANOTECHNOLOGY  PY:2014
  TC:0  AU: Gluschke, J. G.;Svensson, S. Fahlvik;Thelander, C.;Linke, H.;
19:26:14     Using the Seebeck coefficient to determine charge carrier concentration, mobility, and relaxation time in InAs nanowires
DOI:10.1063/1.4858936  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:2  AU: Schmidt, Volker;Mensch, Philipp F. J.;Karg, Siegfried F.;Gotsmann, Bernd;Das Kanungo, Pratyush;Schmid, Heinz;Riel, Heike;
19:26:15     Time-Resolved X-ray Diffraction Investigation of the Modified Phonon Dispersion in InSb Nanowires
DOI:10.1021/nl403596b  JN:NANO LETTERS  PY:2014
  TC:4  AU: Jurgilaitis, A.;Enquist, H.;Andreasson, B. P.;Persson, A. I. H.;Borg, B. M.;Caroff, P.;Dick, K. A.;Harb, M.;Linke, H.;Nueske, R.;Wernersson, L. -E.;Larsson, J.;
19:26:16     Thermoelectric Properties of High-Doped Silicon from Room Temperature to 900 K
DOI:10.1007/s11664-013-2508-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:8  AU: Stranz, A.;Kaehler, J.;Waag, A.;Peiner, E.;
19:26:17     Thermal conduction in lattice-matched superlattices of InGaAs/InAlAs
DOI:10.1063/1.4892575  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Sood, Aditya;Rowlette, Jeremy A.;Caneau, Catherine G.;Bozorg-Grayeli, Elah;Asheghi, Mehdi;Goodson, Kenneth E.;
19:26:18     Surface roughness scattering model for arbitrarily oriented silicon nanowires
DOI:10.1063/1.3656026  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:5  AU: Tienda-Luna, Isabel M.;Ruiz, F. G.;Godoy, A.;Biel, B.;Gamiz, F.;
19:26:19     Thermoelectric properties of p-type Bi0.5Sb1.5Te2.7Se0.3 fabricated by high pressure sintering method
DOI:10.1063/1.4754840  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:5  AU: Xu, Gui-Ying;Niu, Si-Tong;Wu, Xiao-Feng;
19:26:20     Evaluation of Seebeck coefficients in n- and p-type silicon nanowires fabricated by complementary metal-oxide-semiconductor technology
DOI:10.1088/0957-4484/23/40/405707  JN:NANOTECHNOLOGY  PY:2012
  TC:6  AU: Hyun, Younghoon;Park, Youngsam;Choi, Wonchul;Kim, Jaehyeon;Zyung, Taehyoung;Jang, Moongyu;
19:27:1     Thermoelectric property enhancement by Cu nanoparticles in nanostructured FeSb2
DOI:10.1063/1.4808094  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:10  AU: Koirala, Machhindra;Zhao, Huaizhou;Pokharel, Mani;Chen, Shuo;Dahal, Tulashi;Opeil, Cyril;Chen, Gang;Ren, Zhifeng;
19:27:2     Thermopower of correlated semiconductors: Application to FeAs2 and FeSb2
DOI:10.1103/PhysRevB.82.085104  JN:PHYSICAL REVIEW B  PY:2010
  TC:27  AU: Tomczak, Jan M.;Haule, K.;Miyake, T.;Georges, A.;Kotliar, G.;
19:27:3     Dramatic thermal conductivity reduction by nanostructures for large increase in thermoelectric figure-of-merit of FeSb2
DOI:10.1063/1.3651757  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:19  AU: Zhao, Huaizhou;Pokheral, Mani;Zhu, Gaohua;Chen, Shuo;Lukas, Kevin;Jie, Qing;Opeil, Cyril;Chen, Gang;Ren, Zhifeng;
19:27:4     Figure-of-merit enhancement in nanostructured FeSb2-xAgx with Ag1-ySby nanoinclusions
DOI:10.1088/0957-4484/23/50/505402  JN:NANOTECHNOLOGY  PY:2012
  TC:8  AU: Zhao, Huaizhou;Pokharel, Mani;Chen, Shuo;Liao, Bolin;Lukas, Kevin;Opeil, Cyril;Chen, Gang;Ren, Zhifeng;
19:27:5     Thermodynamic, thermoelectric, and magnetic properties of FeSb2: A combined first-principles and experimental study
DOI:10.1103/PhysRevB.84.125210  JN:PHYSICAL REVIEW B  PY:2011
  TC:12  AU: Diakhate, M. S.;Hermann, R. P.;Moechel, A.;Sergueev, I.;Sondergaard, M.;Christensen, M.;Verstraete, M. J.;
19:27:6     Electronic thermoelectric power factor and metal-insulator transition in FeSb2
DOI:10.1103/PhysRevB.86.115121  JN:PHYSICAL REVIEW B  PY:2012
  TC:9  AU: Jie, Qing;Hu, Rongwei;Bozin, Emil;Llobet, A.;Zaliznyak, I.;Petrovic, C.;Li, Q.;
19:27:7     First-principles study of thermal transport in FeSb2
DOI:10.1103/PhysRevB.89.035108  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Liao, Bolin;Lee, Sangyeop;Esfarjani, Keivan;Chen, Gang;
19:27:8     Nanostructured YbAgCu4 for Potentially Cryogenic Thermoelectric Cooling
DOI:10.1021/nl501436w  JN:NANO LETTERS  PY:2014
  TC:0  AU: Koirala, Machhindra;Wang, Hui;Pokharel, Mani;Lan, Yucheng;Guo, Chuanfei;Opeil, Cyril;Ren, Zhifeng;
19:27:9     Thermoelectric properties of Co-, Ir-, and Os-doped FeSi alloys: Evidence for strong electron-phonon coupling
DOI:10.1103/PhysRevB.83.125209  JN:PHYSICAL REVIEW B  PY:2011
  TC:18  AU: Sales, Brian C.;Delaire, Olivier;McGuire, Michael A.;May, Andrew F.;
19:27:10     Unchanged thermopower enhancement at the semiconductor-metal transition in correlated FeSb2-xTex
DOI:10.1063/1.3556645  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:20  AU: Sun, P.;Sondergaard, M.;Sun, Y.;Johnsen, S.;Iversen, B. B.;Steglich, F.;
19:27:11     Hot deformation induced defects and performance enhancement in FeSb2 thermoelectric materials
DOI:10.1063/1.4831668  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Wang, Yongzheng;Fu, Chenguang;Zhu, Tiejun;Hu, Lipeng;Jiang, Guangyu;Zhao, Guanghui;Huo, Dexuan;Zhao, Xinbing;
19:27:12     High Thermoelectric Figure-of-Merit in Kondo Insulator Nanowires at Low Temperatures
DOI:10.1021/nl104090j  JN:NANO LETTERS  PY:2011
  TC:18  AU: Zhang, Yiqun;Dresselhaus, Mildred S.;Shi, Yi;Ren, Zhifeng;Chen, Gang;
19:27:13     Low-temperature magnetotransport of the narrow-gap semiconductor FeSb2
DOI:10.1103/PhysRevB.84.205215  JN:PHYSICAL REVIEW B  PY:2011
  TC:11  AU: Takahashi, H.;Okazaki, R.;Yasui, Y.;Terasaki, I.;
19:27:14     Thermoelectric properties of polycrystalline NiSi3P4
DOI:10.1063/1.4794992  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: May, Andrew F.;McGuire, Michael A.;Wang, Hsin;
19:27:15     Evidence for electron-phonon interaction in Fe1-xMxSb2 (M=Co and Cr; 0 <= x <= 0.5) single crystals
DOI:10.1103/PhysRevB.81.144302  JN:PHYSICAL REVIEW B  PY:2010
  TC:14  AU: Lazarevic, N.;Popovic, Z. V.;Hu, Rongwei;Petrovic, C.;
19:27:16     Correlated evolution of colossal thermoelectric effect and Kondo insulating behavior
DOI:10.1063/1.4833055  JN:APL MATERIALS  PY:2013
  TC:3  AU: Fuccillo, M. K.;Gibson, Q. D.;Ali, Mazhar N.;Schoop, L. M.;Cava, R. J.;
19:27:17     Strong electron correlations in FeSb2: An optical investigation and comparison with RuSb2
DOI:10.1103/PhysRevB.82.245205  JN:PHYSICAL REVIEW B  PY:2010
  TC:14  AU: Herzog, A.;Marutzky, M.;Sichelschmidt, J.;Steglich, F.;Kimura, S.;Johnsen, S.;Iversen, B. B.;
19:27:18     Large thermopower in the antiferromagnetic semiconductor BaMn2Bi2
DOI:10.1063/1.4828779  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:3  AU: Wang, Kefeng;Petrovic, C.;
19:27:19     Electronic and optical properties of the orthorhombic compounds FeX2 (X = P, As and Sb)
DOI:10.1016/j.mseb.2013.08.006  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2013
  TC:0  AU: Brahmia, M.;Bennecer, B.;Hamidani, A.;
19:27:20     Absence of localized-spin magnetism in the narrow-gap semiconductor FeSb2
DOI:10.1103/PhysRevB.83.184414  JN:PHYSICAL REVIEW B  PY:2011
  TC:7  AU: Zaliznyak, I. A.;Savici, A. T.;Garlea, V. O.;Hu, Rongwei;Petrovic, C.;
19:27:21     Transport, thermal, and magnetic properties of the narrow-gap semiconductor CrSb2
DOI:10.1103/PhysRevB.86.235136  JN:PHYSICAL REVIEW B  PY:2012
  TC:5  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;
19:27:22     Electronic structure and magnetic properties of CrSb2 and FeSb2 investigated via ab initio calculations
DOI:10.1103/PhysRevB.87.085113  JN:PHYSICAL REVIEW B  PY:2013
  TC:3  AU: Kuhn, G.;Mankovsky, S.;Ebert, H.;Regus, M.;Bensch, W.;
19:27:23     Quasi-One-Dimensional Magnons in an Intermetallic Marcasite
DOI:10.1103/PhysRevLett.108.167202  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:6  AU: Stone, M. B.;Lumsden, M. D.;Nagler, S. E.;Singh, D. J.;He, J.;Sales, B. C.;Mandrus, D.;
19:27:24     Origin of the energy gap in the narrow-gap semiconductor FeSb2 revealed by high-pressure magnetotransport measurements
DOI:10.1103/PhysRevB.88.165205  JN:PHYSICAL REVIEW B  PY:2013
  TC:0  AU: Takahashi, H.;Okazaki, R.;Terasaki, I.;Yasui, Y.;
19:27:25     Enhancement of the thermoelectric properties in doped FeSb2 bulk crystals
DOI:10.1063/1.4731251  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:10  AU: Wang, Kefeng;Hu, Rongwei;Warren, John;Petrovic, C.;
19:27:26     Electronic Griffiths Phase in the Te-Doped Semiconductor FeSb2
DOI:10.1103/PhysRevLett.109.256401  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:1  AU: Hu, Rongwei;Wang, Kefeng;Ryu, Hyejin;Lei, Hechang;Choi, E. S.;Uhlarz, M.;Wosnitza, J.;Petrovic, C.;
19:27:27     Effects of Li and Na intercalation on electronic, bonding and thermoelectric transport properties of MX2 (M = Ta; X = S or Se) dichalcogenides - Ab initio investigation
DOI:10.1016/j.jallcom.2013.07.033  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:2  AU: Meziane, Souheyr;Feraoun, Houda;Ouahrani, Tarik;Esling, Claude;
19:27:28     Thermoelectric properties of nanocomposite heavy fermion CeCu6
DOI:10.1016/j.jallcom.2014.04.139  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Pokharel, Mani;Dahal, Tulashi;Ren, Zhifeng;Opeil, Cyril;
19:27:29     Tuning the thermoelectric properties of polycrystalline FeSb2 by the in situ formation of Sb/InSb nanoinclusions
DOI:10.1557/jmr.2011.86  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:7  AU: Zhu, Song;Xie, Wenjie;Thompson, Daniel;Holgate, Tim;Zhou, Menghan;Yan, Yonggao;Tritt, Terry M.;
19:27:30     Long range B-site cation ordering and Briet-Wigner-Fano line shape of A(1g)-like Raman mode in Nd1-xSmx(Mg0.5Ti0.5)O-3 microwave dielectric ceramics
DOI:10.1016/j.materresbull.2012.09.056  JN:MATERIALS RESEARCH BULLETIN  PY:2013
  TC:2  AU: Kiran, S. Roopas;Babu, G. Santosh;Narayana, Chandrabhas;Murthy, V. R. K.;Subramanian, V.;
19:27:31     S=2 quasi-one-dimensional spin waves in CrCl2
DOI:10.1103/PhysRevB.88.104413  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Stone, M. B.;Ehlers, G.;Granroth, G. E.;
19:27:32     Dramatic thermal conductivity reduction by nanostructures for large increase in thermoelectric figure-of-merit of FeSb2 (vol 99, 163101, 2011)
DOI:10.1063/1.3679439  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:1  AU: Zhao, Huaizhou;Pokharel, Mani;Zhu, Gaohua;Chen, Shuo;Lukas, Kevin;Jie, Qing;Opeil, Cyril;Chen, Gang;Ren, Zhifeng;
19:28:1     Electronic transport properties of electron- and hole-doped semiconducting C1b Heusler compounds: NiTi1-xMxSn (M=Sc, V)
DOI:10.1103/PhysRevB.82.085108  JN:PHYSICAL REVIEW B  PY:2010
  TC:35  AU: Ouardi, Siham;Fecher, Gerhard H.;Balke, Benjamin;Kozina, Xenia;Stryganyuk, Gregory;Felser, Claudia;Lowitzer, Stephan;Koedderitzsch, Diemo;Ebert, Hubert;Ikenaga, Eiji;
19:28:2     Itinerant half-metallic ferromagnets Co(2)TiZ (Z=Si, Ge, Sn): Ab initio calculations and measurement of the electronic structure and transport properties
DOI:10.1103/PhysRevB.81.064404  JN:PHYSICAL REVIEW B  PY:2010
  TC:33  AU: Barth, Joachim;Fecher, Gerhard H.;Balke, Benjamin;Ouardi, Siham;Graf, Tanja;Felser, Claudia;Shkabko, Andrey;Weidenkaff, Anke;Klaer, Peter;Elmers, Hans J.;Yoshikawa, Hideki;Ueda, Shigenori;Kobayashi, Keisuke;
19:28:3     Electronic structure of Pt based topological Heusler compounds with C1(b) structure and "zero band gap"
DOI:10.1063/1.3592834  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:22  AU: Ouardi, Siham;Shekhar, Chandra;Fecher, Gerhard H.;Kozina, Xeniya;Stryganyuk, Gregory;Felser, Claudia;Ueda, Shigenori;Kobayashi, Keisuke;
19:28:4     Electronic structure and optical, mechanical, and transport properties of the pure, electron-doped, and hole-doped Heusler compound CoTiSb
DOI:10.1103/PhysRevB.86.045116  JN:PHYSICAL REVIEW B  PY:2012
  TC:7  AU: Ouardi, Siham;Fecher, Gerhard H.;Felser, Claudia;Schwall, Michael;Naghavi, S. Shahab;Gloskovskii, Andrei;Balke, Benjamin;Hamrle, Jaroslav;Postava, Kamil;Pistora, Jaromir;Ueda, Shigenori;Kobayashi, Keisuke;
19:28:5     Symmetry of Valence States of Heusler Compounds Explored by Linear Dichroism in Hard-X-Ray Photoelectron Spectroscopy
DOI:10.1103/PhysRevLett.107.036402  JN:PHYSICAL REVIEW LETTERS  PY:2011
  TC:17  AU: Ouardi, Siham;Fecher, Gerhard H.;Kozina, Xeniya;Stryganyuk, Gregory;Balke, Benjamin;Felser, Claudia;Ikenaga, Eiji;Sugiyama, Takeharu;Kawamura, Naomi;Suzuki, Motohiro;Kobayashi, Keisuke;
19:28:6     Thermomagnetic Properties Improved by Self-Organized Flower-Like Phase Separation of Ferromagnetic Co2Dy0.5Mn0.5Sn
DOI:10.1002/adfm.201102792  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2012
  TC:4  AU: Schwall, Michael;Schoop, Leslie M.;Ouardi, Siham;Balke, Benjamin;Felser, Claudia;Klaer, Peter;Elmers, Hans-Joachim;
19:28:7     Electronic structure and symmetry of valence states of epitaxial NiTiSn and NiZr0.5Hf0.5Sn thin films by hard x-ray photoelectron spectroscopy
DOI:10.1063/1.3665621  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:5  AU: Kozina, Xeniya;Jaeger, Tino;Ouardi, Siham;Gloskowskij, Andrei;Stryganyuk, Gregory;Jakob, Gerhard;Sugiyama, Takeharu;Ikenaga, Eiji;Fecher, Gerhard H.;Felser, Claudia;
19:28:8     Transport and thermal properties of single- and polycrystalline NiZr0.5Hf0.5Sn
DOI:10.1063/1.3651484  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:8  AU: Ouardi, Siham;Fecher, Gerhard H.;Felser, Claudia;Blum, Christian G. F.;Bombor, Dirk;Hess, Christian;Wurmehl, Sabine;Buechner, Bernd;Ikenaga, Eiji;
19:28:9     Epitaxial growth and thermoelectric properties of TiNiSn and Zr0.5Hf0.5NiSn thin films
DOI:10.1016/j.tsf.2011.08.008  JN:THIN SOLID FILMS  PY:2011
  TC:10  AU: Jaeger, Tino;Mix, Christian;Schwall, Michael;Kozina, Xeniya;Barth, Joachim;Balke, Benjamin;Finsterbusch, Martin;Idzerda, Yves U.;Felser, Claudia;Jakob, Gerhard;
19:28:10     Electronic and crystallographic structure, hard x-ray photoemission, and mechanical and transport properties of the half-metallic Heusler compound Co2MnGe
DOI:10.1103/PhysRevB.84.155122  JN:PHYSICAL REVIEW B  PY:2011
  TC:10  AU: Ouardi, Siham;Fecher, Gerhard H.;Balke, Benjamin;Beleanu, Andreea;Kozina, Xeniya;Stryganyuk, Gregory;Felser, Claudia;Kloess, Werner;Schrader, Hartmut;Bernardi, Fabiano;Morais, Jonder;Ikenaga, Eiji;Yamashita, Yoshiyuki;Ueda, Shigenori;Kobayashi, Keisuke;
19:28:11     Magnetic dichroism in angle-resolved hard x-ray photoemission from buried layers
DOI:10.1103/PhysRevB.84.054449  JN:PHYSICAL REVIEW B  PY:2011
  TC:11  AU: Kozina, Xeniya;Fecher, Gerhard H.;Stryganyuk, Gregory;Ouardi, Siham;Balke, Benjamin;Felser, Claudia;Schoenhense, Gerd;Ikenaga, Eiji;Sugiyama, Takeharu;Kawamura, Naomi;Suzuki, Motohiro;Taira, Tomoyuki;Uemura, Tetsuya;Yamamoto, Masafumi;Sukegawa, Hiroaki;Wang, Wenhong;Inomata, Koichiro;Kobayashi, Keisuke;
19:28:12     Niobium substitution in Zr0.5Hf0.5NiSn based Heusler compounds for high power factors
DOI:10.1063/1.3548867  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:15  AU: Schwall, Michael;Balke, Benjamin;
19:28:13     Electronic and crystalline structures of zero band-gap LuPdBi thin films grown epitaxially on MgO(100)
DOI:10.1063/1.4802795  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Shan, Rong;Ouardi, Siham;Fecher, Gerhard H.;Gao, Li;Kellock, Andrew;Roche, Kevin P.;Samant, Mahesh G.;ViolBarbosa, Carlos E.;Ikenaga, Eiji;Felser, Claudia;Parkin, Stuart S. P.;
19:28:14     Epitaxial growth and surface studies of the Half Heusler compound NiTiSn (001)
DOI:10.1116/1.4807715  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2013
  TC:2  AU: Kawasaki, Jason K.;Neulinger, Thomas;Timm, Rainer;Hjort, Martin;Zakharov, Alexei A.;Mikkelsen, Anders;Schultz, Brian D.;Palmstrom, Chris J.;
19:28:15     Hard X-ray photoelectron spectroscopy on buried, off-stoichiometric CoxMnyGez (x:z=2:0.38) Heusler thin films
DOI:10.1007/s00339-013-7565-y  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2013
  TC:5  AU: Ouardi, Siham;Fecher, Gerhard H.;Chadov, Stanislav;Balke, Benjamin;Kozina, Xenia;Felser, Claudia;Taira, Tomoyuki;Yamamoto, Masafumi;
19:28:16     A p-type Heusler compound: Growth, structure, and properties of epitaxial thin NiYBi films on MgO(100)
DOI:10.1063/1.4764520  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:1  AU: Shan, Rong;Ouardi, Siham;Fecher, Gerhard H.;Gao, Li;Kellock, Andrew;Gloskovskii, Andrei;ViolBarbosa, Carlos E.;Ikenaga, Eiji;Felser, Claudia;Parkin, Stuart S. P.;
19:28:17     Thermoelectric properties and electronic structure of substituted Heusler compounds: NiTi0.3-xScxZr0.35Hf0.35Sn
DOI:10.1063/1.3531662  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:8  AU: Ouardi, Siham;Fecher, Gerhard H.;Balke, Benjamin;Schwall, Michael;Kozina, Xeniya;Stryganyuk, Gregory;Felser, Claudia;Ikenaga, Eiji;Yamashita, Yoshiyuki;Ueda, Shigenori;Kobayashi, Keisuke;
19:28:18     Growth and transport properties of epitaxial lattice matched half Heusler CoTiSb/InAlAs/InP(001) heterostructures
DOI:10.1063/1.4862191  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Kawasaki, Jason K.;Johansson, Linda I. M.;Schultz, Brian D.;Palmstrom, Chris J.;
19:28:19     Phase-separation-induced changes in the magnetic and transport properties of the quaternary Heusler alloy Co2Mn1-xTixSn
DOI:10.1103/PhysRevB.82.104420  JN:PHYSICAL REVIEW B  PY:2010
  TC:6  AU: Graf, Tanja;Barth, Joachim;Blum, Christian G. F.;Balke, Benjamin;Felser, Claudia;Klaer, Peter;Elmers, Hans-Joachim;
19:28:20     Charge transfer and tunable minority band gap at the Fermi energy of a quaternary Co-2(MnxTi1-x)Ge Heusler alloy
DOI:10.1103/PhysRevB.82.104410  JN:PHYSICAL REVIEW B  PY:2010
  TC:4  AU: Klaer, P.;Bos, T.;Kallmayer, M.;Blum, C. G. F.;Graf, T.;Barth, J.;Balke, B.;Fecher, G. H.;Felser, C.;Elmers, H. J.;
19:28:21     Phase separation in the quaternary Heusler compound CoTi(1-x)MnxSb - A reduction in the thermal conductivity for thermoelectric applications
DOI:10.1016/j.scriptamat.2010.08.039  JN:SCRIPTA MATERIALIA  PY:2010
  TC:10  AU: Graf, Tanja;Klaer, Peter;Barth, Joachim;Balke, Benjamin;Elmers, Hans-Joachim;Felser, Claudia;
19:28:22     Probing the electronic states of high-TMR off-stoichiometric Co2MnSi thin films by hard x-ray photoelectron spectroscopy
DOI:10.1103/PhysRevB.89.125116  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Kozina, Xeniya;Karel, Julie;Ouardi, Siham;Chadov, Stanislav;Fecher, Gerhard H.;Felser, Claudia;Stryganyuk, Gregory;Balke, Benjamin;Ishikawa, Takayuki;Uemura, Tetsuya;Yamamoto, Masafumi;Ikenaga, Eiji;Ueda, Shigenori;Kobayashi, Keisuke;
19:28:23     Tuning the carrier concentration for thermoelectrical application in the quaternary Heusler compound CO2TiAl((1-x))Si-x
DOI:10.1016/j.scriptamat.2010.07.001  JN:SCRIPTA MATERIALIA  PY:2010
  TC:5  AU: Graf, Tanja;Barth, Joachim;Balke, Benjamin;Populoh, Sascha;Weidenkaff, Anke;Felser, Claudia;
19:28:24     Exchange coupling in the correlated electronic states of amorphous GdFe films
DOI:10.1103/PhysRevB.88.174407  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Elmers, H. J.;Chernenkaya, A.;Medjanik, K.;Emmel, M.;Jakob, G.;Schoenhense, G.;Gottlob, D.;Krug, I.;de Groot, F. M. F.;Gloskovskii, A.;
19:28:25     An Alternative Approach to Improve the Thermoelectric Properties of Half-Heusler Compounds
DOI:10.1007/s11664-011-1517-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:9  AU: Balke, Benjamin;Barth, Joachim;Schwall, Michael;Fecher, Gerhard H.;Felser, Claudia;
19:28:26     Structural and thermoelectric properties of HfNiSn half-Heusler thin films
DOI:10.1016/j.tsf.2010.05.080  JN:THIN SOLID FILMS  PY:2010
  TC:9  AU: Wang, Shu-Hui;Cheng, Hsin-Ming;Wu, Ren-Jye;Chao, Wen-Hsuan;
19:28:27     Effect of Fe substitution on magnetic properties of antiferromagnetic Heusler alloy Ru2MnGe
DOI:10.1016/j.jallcom.2011.09.017  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:3  AU: Mizusaki, S.;Douzono, A.;Ohnishi, T.;Ozawa, T. C.;Samata, H.;Noro, Y.;Nagata, Y.;
19:28:28     Metal-insulator-metal transition in Ti substituted antiferromagentic Ru2MnGe Heusler alloy
DOI:10.1016/j.jallcom.2012.12.008  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:2  AU: Mizusaki, S.;Douzono, A.;Ohnishi, T.;Ozawa, T. C.;Noro, Y.;Nagata, Y.;
19:29:1     Thermal co-evaporation of Sb2Te3 thin-films optimized for thermoelectric applications
DOI:10.1016/j.tsf.2011.01.395  JN:THIN SOLID FILMS  PY:2011
  TC:27  AU: Goncalves, L. M.;Alpuim, P.;Rolo, A. G.;Correia, J. H.;
19:29:2     Sb2Te3 Nanoparticles with Enhanced Seebeck Coefficient and Low Thermal Conductivity
DOI:10.1021/cm9038297  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:37  AU: Chen, Jing;Sun, Ting;Sim, DaoHao;Peng, Haiyang;Wang, Huatao;Fan, Shufen;Hng, Huey Hoon;Ma, Jan;Boey, Freddy Yin Chang;Li, Sean;Samani, Majid Kabiri;Chen, George Chung Kit;Chen, Xiaodong;Wu, Tom;Yan, Qingyu;
19:29:3     Deposition of topological insulator Sb2Te3 films by an MOCVD process
DOI:10.1039/c4ta00707g  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:6  AU: Bendt, Georg;Zastrow, Sebastian;Nielsch, Kornelius;Mandal, Partha Sarathi;Sanchez-Barriga, Jaime;Rader, Oliver;Schulz, Stephan;
19:29:4     Thermoelectric Material Electroplating: a Historical Review
DOI:10.1007/s11664-010-1079-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:35  AU: Boulanger, Clotilde;
19:29:5     Synthesis of self-ordered Sb2Te2 films with atomically aligned Te layers and the effect of phonon scattering modulation
DOI:10.1039/c3tc31215a  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2013
  TC:1  AU: Choi, Hyejin;Baeck, Ju Heyuck;Kim, Tae-Hyeon;Song, Jae Yong;Shin, Sangwoo;Cho, HyungHee;Ko, Dae-Hong;Kim, Jin-Sang;Jeong, Kwang Ho;Cho, Mann-Ho;
19:29:6     Thermoelectric properties of p-type (Bi,Sb)(2)Te-3 nanocomposites dispersed with multiwall carbon nanotubes
DOI:10.1016/j.materresbull.2014.04.046  JN:MATERIALS RESEARCH BULLETIN  PY:2014
  TC:3  AU: Yeo, Y. H.;Oh, T. S.;
19:29:7     Electrodeposition and characterization of nano-crystalline antimony telluride thin films
DOI:10.1016/j.tsf.2012.05.078  JN:THIN SOLID FILMS  PY:2012
  TC:5  AU: Lensch-Falk, J. L.;Banga, D.;Hopkins, P. E.;Robinson, D. B.;Stavila, V.;Sharma, P. A.;Medlin, D. L.;
19:29:8     Optimization of Electrodeposited p-Doped Sb2Te3 Thermoelectric Films by Millisecond Potentiostatic Pulses
DOI:10.1002/aenm.201100585  JN:ADVANCED ENERGY MATERIALS  PY:2012
  TC:18  AU: Schumacher, Christian;Reinsberg, Klaus G.;Akinsinde, Lewis;Zastrow, Sebastian;Heiderich, Sonja;Toellner, William;Rampelberg, Geert;Detavernier, Christophe;Broekaert, Jose A. C.;Nielsch, Kornelius;Bachmann, Julien;
19:29:9     Thermoelectric characteristics of Sb2Te3 thin films formed via surfactant-assisted electrodeposition
DOI:10.1039/c3ta01631e  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:12  AU: Yoo, In-Joon;Song, Youngsup;Lim, Dong Chan;Myung, Nosang V.;Lee, Kyu Hyoung;Oh, Minju;Lee, Dongyun;Kim, Yang Do;Kim, Seil;Choa, Yong-Ho;Lee, Joo Yul;Lee, Kyu Hwan;Lim, Jae-Hong;
19:29:10     Fabrication of Highly (0 0 l)-Textured Sb2Te3 Film and Corresponding Thermoelectric Device with Enhanced Performance
DOI:10.1007/s11664-012-2214-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Tan, Ming;Deng, Yuan;Wang, Yao;Luo, Bingwei;Liang, Lixing;Cao, Lili;
19:29:11     Preparation and Characterization of Bi2Te3/Sb2Te3 Thermoelectric Thin-Film Devices for Power Generation
DOI:10.1007/s11664-013-2915-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:4  AU: Kim, Min-Young;Oh, Tae-Sung;
19:29:12     Enhanced Thermoelectric Properties of Antimony Telluride Thin Films with Preferred Orientation Prepared by Sputtering a Fan-Shaped Binary Composite Target
DOI:10.1007/s11664-013-2779-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Zheng, Zhuang-hao;Fan, Ping;Luo, Jing-ting;Liang, Guang-xing;Zhang, Dong-ping;
19:29:13     Microstructure evolution of sputtered BiSb-Te thermoelectric films during post-annealing and its effects on the thermoelectric properties
DOI:10.1016/j.jallcom.2012.11.040  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:7  AU: Jeon, Seong-jae;Jeon, Haseok;Na, Sekwon;Kang, Stephen D.;Lyeo, Ho-Ki;Hyun, Seungmin;Lee, Hoo-Jeong;
19:29:14     Electrodeposition of p-Type SbxTey Thermoelectric Films
DOI:10.1007/s11664-011-1629-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:12  AU: Lim, Jae-Hong;Park, Mi Yeong;Lim, Dong Chan;Yoo, Bongyoung;Lee, Jung-Ho;Myung, Nosang V.;Lee, Kyu Hwan;
19:29:15     Optimization of the Electrodeposition Process of High-Performance Bismuth Antimony Telluride Compounds for Thermoelectric Applications
DOI:10.1021/la101952y  JN:LANGMUIR  PY:2010
  TC:14  AU: Kuleshova, Jekaterina;Koukharenko, Elena;Li, Xiaohong;Frety, Nicole;Nandhakumar, Iris S.;Tudor, John;Beeby, Steve P.;White, Neil M.;
19:29:16     Surfactant-Mediated Electrodeposition of Bismuth Telluride Films and Its Effect on Microstructural Properties
DOI:10.1021/la301367m  JN:LANGMUIR  PY:2012
  TC:14  AU: Naylor, Andrew J.;Koukharenko, Elena;Nandhakumar, Iris S.;White, Neil M.;
19:29:17     Synthesis of Hexagonal Sb2Te3 Nanoplates by Thermal Decomposition of the Single-Source Precursor (Et2Sb)(2)Te
DOI:10.1021/cm301259u  JN:CHEMISTRY OF MATERIALS  PY:2012
  TC:19  AU: Schulz, Stephan;Heimann, Stefan;Friedrich, Jochen;Engenhorst, Markus;Schierning, Gabi;Assenmacher, Wilfried;
19:29:18     Investigation on the electrical transport properties of highly (001)-textured Sb2Te3 films deposited by molecular beam epitaxy
DOI:10.1063/1.4861394  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Zhang, Xiangpeng;Zeng, Zhigang;Shen, Chao;Zhang, Ziqiang;Wang, Zhichong;Lin, Cong;Hu, Zhiyu;
19:29:19     Electrical/thermoelectric characterization of electrodeposited Bi (x) Sb2-x Te-3 thin films
DOI:10.1007/s13391-013-2246-8  JN:ELECTRONIC MATERIALS LETTERS  PY:2013
  TC:0  AU: Yoo, In-Joon;Lim, Dong Chan;Myung, Nosang V.;Jeong, Young-Keun;Kim, Yang Do;Lee, Kyu Hwan;Lim, Jae-Hong;
19:29:20     Electrodeposition of Sb (x) Te (y) Thermoelectric Films from Dimethyl Sulfoxide Solution
DOI:10.1007/s11664-012-2202-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Li, Fei-Hui;Wang, Wei;Gong, Yun-Lan;Li, Jian-Ying;
19:29:21     Thermoelectric Power Generation Characteristics of a Thin-Film Device Consisting of Electrodeposited n-Bi2Te3 and p-Sb2Te3 Thin-Film Legs
DOI:10.1007/s11664-013-2671-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:11  AU: Kim, Min-Young;Oh, Tae-Sung;
19:29:22     Evolution of Pb1-xSnxTe Thin Films from Dendrites to Nanoparticles on Gold Substrates by Electrodeposition
DOI:10.1021/la303724q  JN:LANGMUIR  PY:2012
  TC:4  AU: Bicer, Mustafa;Sisman, Ilkay;
19:29:23     Thermoelectric Characteristics of n-Type Bi2Te3 and p-Type Sb2Te3 Thin Films Prepared by Co-Evaporation and Annealing for Thermopile Sensor Applications
DOI:10.2320/matertrans.M2013010  JN:MATERIALS TRANSACTIONS  PY:2013
  TC:1  AU: Kim, Jae-Hwan;Choi, Jung-Yeol;Bae, Jae-Man;Kim, Min-Young;Oh, Tae-Sung;
19:29:24     Synthesis and thermoelectric/electrical characterization of electrodeposited SbxTey thin films
DOI:10.1016/j.materresbull.2012.04.140  JN:MATERIALS RESEARCH BULLETIN  PY:2012
  TC:4  AU: Lim, Jae-Hong;Park, MiYeong;Lim, Dong-Chan;Myung, Nosang V.;Lee, Jung-Ho;Jeong, Young-Keun;BongyoungYoo;Lee, Kyu Hwan;
19:29:25     Crystallization behavior and thermoelectric characteristics of the electrodeposited Sb2Te3 thin films
DOI:10.1016/j.tsf.2010.03.052  JN:THIN SOLID FILMS  PY:2010
  TC:13  AU: Kim, Min-Young;Oh, Tae-Sung;
19:29:26     Synthesis of hollow nanosphere Sb2Te3 via a thermal evaporation process
DOI:10.1016/j.apsusc.2012.06.076  JN:APPLIED SURFACE SCIENCE  PY:2012
  TC:2  AU: Zhang, Guling;Liang, Yujie;Shi, Honglong;Zou, Bin;Wu, Jiapeng;Zhao, Pan;Bai, Wanjun;Yang, Huan;Wang, Wenzhong;
19:29:27     Investigation on the homogeneity of pulsed electrochemically deposited thermoelectric films with synchrotron mu-XRF, mu-XRD and mu-XANES
DOI:10.1039/c3ta01480k  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:0  AU: Reinsberg, Klaus-Georg;Schumacher, Christian;Zastrow, Sebastian;Nielsch, Kornelius;Broekaert, Jose A. C.;Fittschen, Ursula E. A.;
19:29:28     Thermoelectric Characteristics of the Thermopile Sensors with Variations of the Width and the Thickness of the Electrodeposited Bismuth-Telluride and Antimony-Telluride Thin Films
DOI:10.2320/matertrans.M2010122  JN:MATERIALS TRANSACTIONS  PY:2010
  TC:7  AU: Kim, Min-Young;Oh, Tae-Sung;
19:29:29     Thermoelectric Thin Film Device of Cross-Plane Configuration Processed by Electrodeposition and Flip-Chip Bonding
DOI:10.2320/matertrans.M2012265  JN:MATERIALS TRANSACTIONS  PY:2012
  TC:6  AU: Kim, Min-Young;Oh, Tae-Sung;
19:29:30     Thermoelectric Properties of p-type Bi-Sb-Te Thin Films with Various Compositions using a Combinatorial Method
DOI:10.1007/s13391-011-0307-4  JN:ELECTRONIC MATERIALS LETTERS  PY:2011
  TC:4  AU: Lee, Hee-Jung;Hyun, Seungmin;Park, Hyun-Seong;Han, Seungwoo;
19:29:31     Electrodeposition of BixSb2-xTey Thermoelectric Films from DMSO Solution
DOI:10.1007/s11664-010-1284-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:2  AU: Li, Fei-Hui;Wang, Wei;Gao, Jian-ping;
19:29:32     Synthesis, magnetic and thermoelectric properties of Rh2MO6 (M = Mo, Te, and W) with rutile-related structure
DOI:10.1016/j.materresbull.2011.07.007  JN:MATERIALS RESEARCH BULLETIN  PY:2011
  TC:1  AU: Siritanon, Theeranun;Biswas, Krishnendu;Sleight, Arthur W.;Subramanian, M. A.;
19:30:1     Nanostructuration via solid state transformation as a strategy for improving the thermoelectric efficiency of PbTe alloys
DOI:10.1016/j.actamat.2011.07.049  JN:ACTA MATERIALIA  PY:2011
  TC:32  AU: Gorsse, S.;Bellanger, P.;Brechet, Y.;Sellier, E.;Umarji, A.;Ail, U.;Decourt, R.;
19:30:2     Controlling Metallurgical Phase Separation Reactions of the Ge0.87Pb0.13Te Alloy for High Thermoelectric Performance
DOI:10.1002/aenm.201200970  JN:ADVANCED ENERGY MATERIALS  PY:2013
  TC:14  AU: Gelbstein, Yaniv;Davidow, Joseph;Girard, Steven N.;Chung, Duck Young;Kanatzidis, Mercouri;
19:30:3     High Thermoelectric Figure of Merit and Nanostructuring in Bulk p-type Ge-x(SnyPb1-y)(1-x)Te Alloys Following a Spinodal Decomposition Reaction
DOI:10.1021/cm902009t  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:37  AU: Gelbstein, Yaniv;Dado, Boaz;Ben-Yehuda, Ohad;Sadia, Yatir;Dashevsky, Zinovy;Dariel, Moshe P.;
19:30:4     Microstructure Engineering Design for Thermoelectric Materials: An Approach to Minimize Thermal Diffusivity
DOI:10.1021/cm901862m  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:27  AU: Gorsse, S.;Pereira, P. Bauer;Decourt, R.;Sellier, E.;
19:30:5     Enhancement of Thermopower of TAGS-85 High-Performance Thermoelectric Material by Doping with the Rare Earth Dy
DOI:10.1002/adfm.201103049  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2012
  TC:20  AU: Levin, E. M.;Bud'ko, S. L.;Schmidt-Rohr, K.;
19:30:6     Phase separation and thermoelectric properties of the Pb0.25Sn0.25Ge0.5Te compound
DOI:10.1016/j.jallcom.2012.02.099  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:16  AU: Rosenberg, Y.;Gelbstein, Y.;Dariel, M. P.;
19:30:7     Phase morphology effects on the thermoelectric properties of Pb0.25Sn0.25Ge0.5Te
DOI:10.1016/j.actamat.2012.11.027  JN:ACTA MATERIALIA  PY:2013
  TC:4  AU: Gelbstein, Yaniv;
19:30:8     Analysis of Ce- and Yb-Doped TAGS-85 Materials with Enhanced Thermoelectric Figure of Merit
DOI:10.1002/adfm.201001307  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2011
  TC:25  AU: Levin, E. M.;Cook, B. A.;Harringa, J. L.;Bud'ko, S. L.;Venkatasubramanian, R.;Schmidt-Rohr, K.;
19:30:9     Electronic and thermal transport in GeTe: A versatile base for thermoelectric materials
DOI:10.1063/1.4819222  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:10  AU: Levin, E. M.;Besser, M. F.;Hanus, R.;
19:30:10     (Bi,Sb)(2)Te-3-PbTe chalcogenide alloys: Impact of the cooling rate and sintering parameters on the microstructures and thermoelectric performances
DOI:10.1557/jmr.2011.78  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:5  AU: Jacquot, Alexandre;Juergen, Thomas;Schumann, Joachim;Jaegle, Martin;Boettner, Harald;Gemming, Thomas;Schmidt, Juergen;Ebling, Dirk;
19:30:11     Morphological effects on the electronic transport properties of three-phase thermoelectric materials
DOI:10.1063/1.4769449  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Gelbstein, Yaniv;
19:30:12     Thermoelectric properties of chromium disilicide prepared by mechanical alloying
DOI:10.1007/s10853-013-7398-2  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:2  AU: Perumal, S.;Gorsse, S.;Ail, U.;Prakasam, M.;Chevalier, B.;Umarji, A. M.;
19:30:13     Enhanced thermoelectric properties of (Pb1-xYbxTe)(0.15)(GeTe)(0.85) composites due to phase separation and Yb doping
DOI:10.1016/j.jallcom.2013.09.104  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:5  AU: Deng, J. F.;Li, J. Q.;Ye, R. F.;Liu, X. Y.;Liu, F. S.;Ao, W. Q.;
19:30:14     Highly Efficient Ge-Rich Ge (x) Pb1-x Te Thermoelectric Alloys
DOI:10.1007/s11664-009-1012-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:17  AU: Gelbstein, Yaniv;Dado, Boaz;Ben-Yehuda, Ohad;Sadia, Yatir;Dashevsky, Zinovy;Dariel, Moshe P.;
19:30:15     High thermoelectric performance of Ge1-xPbxSe0.5Te0.5 due to (Pb, Se) co-doping
DOI:10.1016/j.actamat.2014.04.036  JN:ACTA MATERIALIA  PY:2014
  TC:2  AU: Li, J. Q.;Lu, Z. W.;Wu, H. J.;Li, H. T.;Liu, F. S.;Ao, W. Q.;Luo, J.;He, J. Q.;
19:30:16     Effect of Ce-Doping on Thermoelectric Properties in PbTe Alloys Prepared by Spark Plasma Sintering
DOI:10.1007/s11664-011-1715-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Li, J. Q.;Li, S. P.;Wang, Q. B.;Wang, L.;Liu, F. S.;Ao, W. Q.;
19:30:17     TAGS-related indium compounds and their thermoelectric properties -the solid solution series (GeTe) xAgInySb1 -Te-y(2) (x=1-12; y=0.5 and 1)
DOI:10.1039/c4ta00072b  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:3  AU: Schroeder, Thorsten;Rosenthal, Tobias;Giesbrecht, Nadja;Maier, Stefan;Scheidt, Ernst-Wilhelm;Scherer, Wolfgang;Snyder, G. Jeffrey;Schnick, Wolfgang;Oeckler, Oliver;
19:30:18     NMR study of native defects in PbSe
DOI:10.1103/PhysRevB.90.125201  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Koumoulis, D.;Taylor, R. E.;King, D., Jr.;Bouchard, L. -S.;
19:30:19     Thermoelectric, Structural, and Mechanical Properties of Spark-Plasma-Sintered Submicro- and Microstructured P-Type Bi0.5Sb1.5Te3
DOI:10.1007/s11664-012-1950-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Bomshtein, N.;Spiridonov, G.;Dashevsky, Z.;Gelbstien, Y.;
19:30:20     Structural Evolution Following Spinodal Decomposition of the Pseudoternary Compound (Pb0.3Sn0.1Ge0.6)Te
DOI:10.1007/s11664-009-0980-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:6  AU: Dado, Boaz;Gelbstein, Yaniv;Mogilansky, Dimitri;Ezersky, Vladimir;Dariel, Moshe P.;
19:30:21     Effect of Composition on Thermoelectric Properties of Polycrystalline CrSi2
DOI:10.1007/s11664-013-2510-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Perumal, S.;Gorsse, S.;Ail, U.;Decourt, R.;Umarji, A. M.;
19:30:22     Effect of co-substitution of Mn and Al on thermoelectric properties of chromium disilicide
DOI:10.1007/s10853-012-6732-4  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:3  AU: Perumal, S.;Gorsse, S.;Ail, U.;Chevalier, B.;Decourt, R.;Umarji, A. M.;
19:30:23     Investigation of the Microstructural and Thermoelectric Properties of the (GeTe)(0.95)(Bi2Te3)(0.05) Composition for Thermoelectric Power Generation Applications
DOI:10.1155/2014/284634  JN:JOURNAL OF NANOMATERIALS  PY:2014
  TC:0  AU: Weintraub, Lior;Davidow, Joseph;Tunbridge, Jonathan;Dixon, Richard;Reece, Michael John;Ning, Huanpo;Agote, Inigo;Gelbstein, Yaniv;
19:30:24     Nanostructures in metastable GeBi2Te4 obtained by high-pressure synthesis and rapid quenching and their influence on physical properties
DOI:10.1103/PhysRevB.84.184104  JN:PHYSICAL REVIEW B  PY:2011
  TC:5  AU: Schroeder, Thorsten;Schneider, Matthias N.;Rosenthal, Tobias;Eisele, Andreas;Gold, Christian;Scheidt, Ernst-Wilhelm;Scherer, Wolfgang;Berthold, Rico;Oeckler, Oliver;
19:30:25     Electronic inhomogeneity in n- and p-type PbTe detected by Te-125 NMR
DOI:10.1103/PhysRevB.88.115211  JN:PHYSICAL REVIEW B  PY:2013
  TC:5  AU: Levin, E. M.;Heremans, J. P.;Kanatzidis, M. G.;Schmidt-Rohr, K.;
19:30:26     A Comparison Between the Mechanical and Thermoelectric Properties of Three Highly Efficient p-Type GeTe-Rich Compositions: TAGS-80, TAGS-85, and 3% Bi2Te3-Doped Ge0.87Pb0.13Te
DOI:10.1007/s11664-012-2316-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:8  AU: Davidow, Joseph;Gelbstein, Yaniv;
19:30:27     Thermoelectric Performance and High-Temperature Creep Behavior of GeTe-Based Thermoelectric Materials
DOI:10.1007/s11664-011-1537-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Zhang, Lili;Wang, Wei;Ren, Baoguo;Yan, Yong;
19:30:28     Nucleation of nanosize particles following the spinodal decomposition in the pseudo-ternary Ge0.6Sn0.1Pb0.3Te compound
DOI:10.1016/j.scriptamat.2009.09.029  JN:SCRIPTA MATERIALIA  PY:2010
  TC:3  AU: Dado, Boaz;Gelbstein, Yaniv;Dariel, Moshe P.;
19:30:29     Grinding effects on the change of particle properties in cupric sulfide, CuS
DOI:10.1016/j.apt.2011.09.004  JN:ADVANCED POWDER TECHNOLOGY  PY:2012
  TC:3  AU: Lee, Jaeryeong;
19:30:30     The Effect of Adding Nano-Bi2Te3 on Properties of GeTe-Based Thermoelectric Material
DOI:10.1007/s11664-012-2416-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Zhang, Lili;Wang, Wei;Ren, Baoguo;Guo, Jinjuan;
19:30:31     (Bi,Sb)(2)Te-3-PbTe chalcogenide alloys: Impact of the cooling rate and sintering parameters on the microstructures and thermoelectric performances (vol 26, pg 1773, 2011)
DOI:10.1557/jmr.2011.312  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:0  AU: Jacquot, Alexandre;Thomas, Juergen;Schumann, Joachim;Jaegle, Martin;Boettner, Harald;Gemming, Thomas;Schmidt, Juergen;Ebling, Dirk;
19:31:1:1     Numerical Modeling of Multimaterial Thermoelectric Devices Under Static and Cyclic Thermal Loading
DOI:10.1007/s11664-013-2858-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Fergus, Jeffrey W.;Yerkes, Kirk;Yost, Kevin;
19:31:1:2     Modeling a Thermoelectric Generator Applied to Diesel Automotive Heat Recovery
DOI:10.1007/s11664-010-1305-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:32  AU: Espinosa, N.;Lazard, M.;Aixala, L.;Scherrer, H.;
19:31:1:3     An Introduction to System-Level, Steady-State and Transient Modeling and Optimization of High-Power-Density Thermoelectric Generator Devices Made of Segmented Thermoelectric Elements
DOI:10.1007/s11664-010-1451-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:19  AU: Crane, D. T.;
19:31:1:4     Model for Increasing the Power Obtained from a Thermoelectric Generator Module
DOI:10.1007/s11664-014-3059-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Huang, Gia-Yeh;Hsu, Cheng-Ting;Yao, Da-Jeng;
19:31:1:5     Thermoelectric Generators for Automotive Waste Heat Recovery Systems Part I: Numerical Modeling and Baseline Model Analysis
DOI:10.1007/s11664-013-2471-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:15  AU: Kumar, Sumeet;Heister, Stephen D.;Xu, Xianfan;Salvador, James R.;Meisner, Gregory P.;
19:31:1:6     Model of Heat Exchangers for Waste Heat Recovery from Diesel Engine Exhaust for Thermoelectric Power Generation
DOI:10.1007/s11664-012-1915-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:10  AU: Baker, Chad;Vuppuluri, Prem;Shi, Li;Hall, Matthew;
19:31:1:7     Investigation of Maximum Power Point Tracking for Thermoelectric Generators
DOI:10.1007/s11664-012-2460-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Phillip, Navneesh;Maganga, Othman;Burnham, Keith J.;Ellis, Mark A.;Robinson, Simon;Dunn, Julian;Rouaud, Cedric;
19:31:1:8     TEG On-Vehicle Performance and Model Validation and What It Means for Further TEG Development
DOI:10.1007/s11664-012-2327-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:8  AU: Crane, Doug;LaGrandeur, John;Jovovic, Vladimir;Ranalli, Marco;Adldinger, Martin;Poliquin, Eric;Dean, Joe;Kossakovski, Dmitri;Mazar, Boris;Maranville, Clay;
19:31:1:9     New Perspectives in Thermoelectric Energy Recovery System Design Optimization
DOI:10.1007/s11664-012-2406-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Hendricks, Terry J.;Karri, Naveen K.;Hogan, Tim P.;Cauchy, Charles J.;
19:31:1:10     Two-Dimensional Thermal Resistance Analysis of a Waste Heat Recovery System with Thermoelectric Generators
DOI:10.1007/s11664-013-2488-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Huang, Gia-Yeh;Yao, Da-Jeng;
19:31:1:11     Study of Complete Thermoelectric Generator Behavior Including Water-to-Ambient Heat Dissipation on the Cold Side
DOI:10.1007/s11664-014-3057-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Aranguren, P.;Astrain, D.;Martinez, A.;
19:31:1:12     Waste Heat Recovery from a Marine Waste Incinerator Using a Thermoelectric Generator
DOI:10.1007/s11664-012-2009-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:12  AU: Kristiansen, N. R.;Snyder, G. J.;Nielsen, H. K.;Rosendahl, L.;
19:31:1:13     Megawatt-Scale Application of Thermoelectric Devices in Thermal Power Plants
DOI:10.1007/s11664-012-2434-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Knox, A. R.;Buckle, J.;Siviter, J.;Montecucco, A.;Mcculloch, E.;
19:31:2:1     System Modeling and Validation of a Thermoelectric Fluidic Power Source: Proton Exchange Membrane Fuel Cell and Thermoelectric Generator (PEMFC-TEG)
DOI:10.1007/s11664-010-1270-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:19  AU: Chen, Min;Andreasen, Soren Juhl;Rosendahl, Lasse;Kaer, Soren Knudsen;Condra, Thomas;
19:31:2:2     Design and Numerical Evaluation of Cascade-Type Thermoelectric Modules
DOI:10.1007/s11664-012-2400-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:8  AU: Fujisaka, Takeyuki;Sui, Hongtao;Suzuki, Ryosuke O.;
19:31:2:3     Thermoelectric Analysis for Helical Power Generation Systems
DOI:10.1007/s11664-013-2768-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:5  AU: Meng, Xiangning;Fujisaka, Takeyuki;Suzuki, Ryosuke O.;
19:31:2:4     Simulation of a Thermoelectric Module Having Parallelogram Elements
DOI:10.2320/matertrans.E-M2014822  JN:MATERIALS TRANSACTIONS  PY:2014
  TC:2  AU: Meng, Xiangning;Fujisaka, Takeyuki;Ito, Keita O.;Suzuki, Ryosuke O.;
19:31:2:5     Effects of Fluid Directions on Heat Exchange in Thermoelectric Generators
DOI:10.1007/s11664-012-2074-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:7  AU: Suzuki, Ryosuke O.;Sasaki, Yuto;Fujisaka, Takeyuki;Chen, Min;
19:31:3:1     Computational Simulation of Thermoelectric Generators in Marine Power Plants
DOI:10.2320/matertrans.E-M2011813  JN:MATERIALS TRANSACTIONS  PY:2011
  TC:12  AU: Chen, Min;Sasaki, Y.;Suzuki, R. O.;
19:31:3:2     Numerical model of a thermoelectric generator with compact plate-fin heat exchanger for high temperature PEM fuel cell exhaust heat recovery
DOI:10.1016/j.ijhydene.2012.03.009  JN:INTERNATIONAL JOURNAL OF HYDROGEN ENERGY  PY:2012
  TC:12  AU: Gao, Xin;Andreasen, Soren Juhl;Chen, Min;Kaer, Soren Knudsen;
19:31:3:3     Thermal Management Optimization of a Thermoelectric-Integrated Methanol Evaporator Using a Compact CFD Modeling Approach
DOI:10.1007/s11664-013-2514-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Gao, Xin;Chen, Min;Snyder, G. Jeffrey;Andreasen, Soren Juhl;Kaer, Soren Knudsen;
19:31:3:4     Potential Usage of Thermoelectric Devices in a High-Temperature Polymer Electrolyte Membrane (PEM) Fuel Cell System: Two Case Studies
DOI:10.1007/s11664-012-2098-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Gao, Xin;Chen, Min;Andreasen, Soren Juhl;Kaer, Soren Knudsen;
19:31:3:5     Energy Conversion Efficiency of an Exponentially Graded Thermoelectric Material
DOI:10.1007/s11664-013-2868-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Jin, Zhi-He;Wallace, Travis T.;Lad, Robert J.;Su, Ji;
19:31:3:6     Optimization of a thermoelectric generator subsystem for high temperature PEM fuel cell exhaust heat recovery
DOI:10.1016/j.ijhydene.2014.01.193  JN:INTERNATIONAL JOURNAL OF HYDROGEN ENERGY  PY:2014
  TC:0  AU: Gao, Xin;Andreasen, Soren Juhl;Kaer, Soren Knudsen;Rosendahl, Lasse Aistrup;
19:31:3:7     One-Dimensional Modeling of Thermogenerator Elements with Linear Material Profiles
DOI:10.1007/s11664-010-1179-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:11  AU: Zabrocki, K.;Mueller, E.;Seifert, W.;
19:31:3:8     Potential for Usage of Thermoelectric Generators on Ships
DOI:10.1007/s11664-010-1189-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:4  AU: Kristiansen, N. R.;Nielsen, H. K.;
19:31:4:1     Progress Report on BSST-Led US Department of Energy Automotive Waste Heat Recovery Program
DOI:10.1007/s11664-009-0991-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:32  AU: Crane, D. T.;Lagrandeur, J. W.;
19:31:4:2     Preparation of Ring-Shaped Thermoelectric Legs from PbTe Powders for Tubular Thermoelectric Modules
DOI:10.1007/s11664-012-2402-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Schmitz, Andreas;Stiewe, Christian;Mueller, Eckhard;
19:31:4:3     Thermoelectric and Mechanical Properties of Novel Hot-Extruded PbTe n-Type Material
DOI:10.1007/s11664-012-1926-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Vasilevskiy, D.;Masut, R. A.;Turenne, S.;
19:31:4:4     Variations of Thermoelectric and Mechanical Properties of Large Lead Telluride Samples Produced by a Short-Term Sintering Method
DOI:10.1007/s11664-010-1442-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Schmitz, Andreas;Stiewe, Christian;Mueller, Eckhard;
19:31:5:1     Validating Steady-State and Transient Modeling Tools for High-Power-Density Thermoelectric Generators
DOI:10.1007/s11664-012-1955-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:16  AU: Crane, D. T.;Koripella, C. R.;Jovovic, V.;
19:31:5:2     Weight Penalty Incurred in Thermoelectric Recovery of Automobile Exhaust Heat
DOI:10.1007/s11664-011-1571-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:13  AU: Rowe, D. M.;Smith, J.;Thomas, G.;Min, G.;
19:31:5:3     Research on the Compatibility of the Cooling Unit in an Automotive Exhaust-based Thermoelectric Generator and Engine Cooling System
DOI:10.1007/s11664-013-2881-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:4  AU: Deng, Y. D.;Liu, X.;Chen, S.;Xing, H. B.;Su, C. Q.;
19:31:5:4     Experiments and Simulations on a Heat Exchanger of an Automotive Exhaust Thermoelectric Generation System Under Coupling Conditions
DOI:10.1007/s11664-014-3015-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:6  AU: Liu, X.;Yu, C. G.;Chen, S.;Wang, Y. P.;Su, C. Q.;
19:31:5:5     Modeling and Optimization of Thermoelements by a Combined Analytical and Numerical Method
DOI:10.1007/s11664-013-2860-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Xu, Shaohui;Chen, Qiang;Zhu, Yiping;Wang, Lianwei;Zheng, Lirong;Chu, Paul K.;
19:31:6:1     Hybrid Solid Oxide Fuel Cell and Thermoelectric Generator for Maximum Power Output in Micro-CHP Systems
DOI:10.1007/s11664-011-1552-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:6  AU: Rosendahl, L. A.;Mortensen, Paw V.;Enkeshafi, Ali A.;
19:31:6:2     Thermoelectric Generation Using Water Lenses
DOI:10.1007/s11664-013-2483-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Suzuki, Ryosuke O.;Nakagawa, Atsushi;Sui, Hongtao;Fujisaka, Takeyuki;
19:31:6:3     Studies on Effective Utilization of SOFC Exhaust Heat Using Thermoelectric Power Generation Technology
DOI:10.1007/s11664-012-2412-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Terayama, Takeshi;Nagata, Susumu;Tanaka, Yohei;Momma, Akihiko;Kato, Tohru;Kunii, Masaru;Yamamoto, Atsushi;
19:31:6:4     Using a Water Lens for Light Concentration in Thermoelectric Generation
DOI:10.1007/s11664-013-2965-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Ito, Keita O.;Sui, Hongtao;Hakozaki, Hidetoshi;Kinoshita, Hiroshi;Suzuki, Ryosuke O.;
19:31:7:1     Modeling of a Thermoelectric Generator for Thermal Energy Regeneration in Automobiles
DOI:10.1007/s11664-013-2642-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Tatarinov, Dimitri;Koppers, M.;Bastian, G.;Schramm, D.;
19:31:7:2     Optimized Characterization of Thermoelectric Generators for Automotive Application
DOI:10.1007/s11664-012-2040-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:8  AU: Tatarinov, Dimitri;Wallig, Daniel;Bastian, Georg;
19:31:7:3     On the Placement of Thermoelectric Generators in Automobiles
DOI:10.1007/s11664-010-1332-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:9  AU: Korzhuev, M. A.;Katin, I. V.;
19:31:7:4     Interferometric Analysis of Thermomechanical Deformations in Thermoelectric Generators
DOI:10.1007/s11664-012-2364-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Morschel, Marlis;Bastian, Georg;
19:31:8:1     Improved thermoelectric cooling based on the Thomson effect
DOI:10.1103/PhysRevB.86.045202  JN:PHYSICAL REVIEW B  PY:2012
  TC:8  AU: Snyder, G. Jeffrey;Toberer, Eric S.;Khanna, Raghav;Seifert, Wolfgang;
19:31:8:2     Maximum performance in self-compatible thermoelectric elements
DOI:10.1557/jmr.2011.139  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:8  AU: Seifert, W.;Pluschke, V.;Goupil, C.;Zabrocki, K.;Mueller, E.;Snyder, G. J.;
19:31:9:1     Model Building and Simulation of Thermoelectric Module Using Matlab/Simulink
DOI:10.1007/s11664-009-0994-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:12  AU: Tsai, Huan-Liang;Lin, Jium-Ming;
19:31:9:2     Autonomous Underwater Vehicle Thermoelectric Power Generation
DOI:10.1007/s11664-013-2584-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Buckle, J. R.;Knox, A.;Siviter, J.;Montecucco, A.;
19:31:10:1     Thermoelectric Energy Harvesting from Transient Ambient Temperature Gradients
DOI:10.1007/s11664-011-1894-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:8  AU: Moser, Andre;Erd, Metin;Kostic, Milos;Cobry, Keith;Kroener, Michael;Woias, Peter;
19:31:10:2     Thermoelectric Energy Harvesting from Transient Ambient Temperature Gradients (vol 41, pg 1653, 2012)
DOI:10.1007/s11664-012-2333-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Moser, Andre;Erd, Metin;Kostic, Milos;Cobry, Keith;Kroener, Michael;Reindl, Leonhard M.;Woias, Peter;
19:32:1     High-temperature transport properties of Ca0.98RE0.02MnO3-delta (RE=Sm, Gd, and Dy)
DOI:10.1063/1.3593962  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:31  AU: Liu, Chia-Jyi;Bhaskar, Ankam;Yuan, J. J.;
19:32:2     Effect of the sintering temperature on the properties of nanocrystalline Ca1-xSmxMnO3 (0 <= x <= 0.4) powders
DOI:10.1016/j.jallcom.2011.07.032  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:15  AU: Matos, I.;Serio, S.;Lopes, M. E.;Nunes, M. R.;Melo Jorge, M. E.;
19:32:3     Thermoelectric properties of n-type Ca1-xDyxMn1-yNbyO3-delta compounds (x=0, 0.02, 0.1 and y=0, 0.02) prepared by spray-drying method
DOI:10.1016/j.jallcom.2011.04.056  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:13  AU: Muguerra, H.;Rivas-Murias, B.;Traianidis, M.;Marchal, C.;Vanderbemden, Ph;Vertruyen, B.;Henrist, C.;Cloots, R.;
19:32:4     Influence of tungsten substitution and oxygen deficiency on the thermoelectric properties of CaMnO3-delta
DOI:10.1063/1.4854475  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:8  AU: Thiel, Philipp;Eilertsen, James;Populoh, Sascha;Saucke, Gesine;Doebeli, Max;Shkabko, Andrey;Sagarna, Leyre;Karvonen, Lassi;Weidenkaff, Anke;
19:32:5     Electronic structure and thermal properties of doped CaMnO3 systems
DOI:10.1016/j.jallcom.2011.01.032  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:14  AU: Zhang, F. P.;Zhang, X.;Lu, Q. M.;Zhang, J. X.;Liu, Y. Q.;
19:32:6     Synthesis and Thermoelectric Properties of Yb-doped Ca0.9-xYbxLa0.1MnO3 Ceramics
DOI:10.1007/s11664-014-3326-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Zhang, Bo;Chang, Aimin;Zhao, Qing;Ye, Haitao;Wu, Yiquan;
19:32:7     First principle investigation of electronic structure of CaMnO3 thermoelectric compound oxide
DOI:10.1016/j.jallcom.2010.09.102  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:15  AU: Zhang, F. P.;Lu, Q. M.;Zhang, X.;Zhang, J. X.;
19:32:8     Microstructure control on thermoelectric properties of Ca0.96Sm0.04MnO3 synthesised by co-precipitation technique
DOI:10.1016/j.materresbull.2010.01.023  JN:MATERIALS RESEARCH BULLETIN  PY:2010
  TC:16  AU: Sanmathi, C. S.;Takahashi, Y.;Sawaki, D.;Klein, Y.;Retoux, R.;Terasaki, I.;Noudem, J. G.;
19:32:9     High-temperature metal-insulator transition in YxCa1-xMnO3 (0.05 <= x <= 0.12): An electron-spin resonance study
DOI:10.1016/j.jallcom.2013.07.204  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Wang, Cailin;Shi, Lei;Zhou, Shiming;Zhao, Jiyin;Guo, Yuqiao;Liu, Haifeng;He, Laifa;Cai, Xuan;
19:32:10     Thermoelectric Properties of the Ca1-xRxMnO3 Perovskite System (R: Pr, Nd, Sm) for High-Temperature Applications
DOI:10.1007/s11664-010-1446-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:12  AU: Choi, Soon-Mok;Lim, Chang-Hyun;Seo, Won-Seon;
19:32:11     Flash combustion synthesis of electron doped-CaMnO3 thermoelectric oxides
DOI:10.1016/j.powtec.2014.05.022  JN:POWDER TECHNOLOGY  PY:2014
  TC:2  AU: Mouyane, Mohamed;Itaalit, Brahim;Bernard, Jerome;Houivet, David;Noudem, Jacques G.;
19:32:12     Preparation, Structure, and Electrical Properties of Ca1-x Er (x) MnO3 Powders
DOI:10.1007/s11664-012-2445-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Li, Yunjiao;Hao, Sue;Xia, Xue;Xu, Jialin;Du, Xin;Fang, Siyu;Meng, Xianwei;
19:32:13     Thermoelectric properties of Ca0.9Yb0.1MnO3-x prepared by spark plasma sintering in air atmosphere
DOI:10.1016/j.scriptamat.2013.02.059  JN:SCRIPTA MATERIALIA  PY:2013
  TC:3  AU: Noudem, Jacques G.;Quetel-Weben, Simon;Retoux, Richard;Chevallier, Geoffroy;Estournes, Claude;
19:32:14     Spark Plasma Sintering of n-Type Thermoelectric Ca0.95Sm0.05MnO3
DOI:10.1111/j.1551-2916.2011.04465.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2011
  TC:7  AU: Noudem, Jacques G.;Kenfaui, Driss;Quetel-Weben, Simon;Sanmathi, Chavalmane S.;Retoux, Richard;Gomina, Moussa;
19:32:15     High temperature transport properties of thermoelectric CaMnO3-delta - Indication of strongly interacting small polarons
DOI:10.1063/1.4868321  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:4  AU: Schrade, M.;Kabir, R.;Li, S.;Norby, T.;Finstad, T. G.;
19:32:16     Thermoelectric and Magnetic Properties of Ca0.98RE0.02MnO3-delta (RE = Sm, Gd, and Dy)
DOI:10.1007/s11664-012-2159-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:9  AU: Bhaskar, Ankam;Liu, Chia-Jyi;Yuan, J. J.;
19:32:17     Preparation of Ca0.8Sm0.2MnO3 powders and effects of calcination temperature on structure and electrical property
DOI:10.1016/j.powtec.2012.02.034  JN:POWDER TECHNOLOGY  PY:2012
  TC:3  AU: Meng, Xianwei;Hao, Sue;Li, Jialong;Fu, Qiuyue;Fu, Dongsheng;
19:32:18     Effect of pressure on the magnetic, transport, and thermal-transport properties of the electron-doped manganite CaMn1-xSbxO3
DOI:10.1103/PhysRevB.83.054437  JN:PHYSICAL REVIEW B  PY:2011
  TC:8  AU: Murano, Yuh;Matsukawa, Michiaki;Ohuchi, Syuya;Kobayashi, Satoru;Nimori, Shigeki;Suryanarayanan, Ramanathan;Koyama, Keiichi;Kobayashi, Norio;
19:32:19     Cosubstitution effect on the magnetic, transport, and thermoelectric properties of the electron-doped perovskite manganite CaMnO3
DOI:10.1063/1.3505756  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:13  AU: Okuda, T.;Fujii, Y.;
19:32:20     Improvement in the thermoelectric properties of CaMnO3 perovskites by W doping
DOI:10.1007/s10853-014-8459-x  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:5  AU: Kabir, Rezaul;Zhang, Tianshu;Wang, Danyang;Donelson, Richard;Tian, Ruoming;Tan, Thiam Teck;Li, Sean;
19:32:21     The effects of Si doping on the thermoelectric and magnetic properties of Ca0.98Bi0.02Mn1-xSixO3-delta with x=0.00, 0.02 and 0.03
DOI:10.1016/j.mseb.2014.03.009  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2014
  TC:2  AU: Bhaskar, Ankam;Yuan, J. J.;Liu, Chia-Jyi;
19:32:22     Thermoelectric properties of n-type Ca1-xBixMn1-ySiyO3-delta (x = y=0.00, 0.02, 0.03, 0.04, and 0.05) system
DOI:10.1016/j.jallcom.2012.10.078  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:8  AU: Bhaskar, Ankam;Liu, Chia-Jyi;Yuan, J. J.;Chang, Ching-Lin;
19:32:23     Thermal conductivity of electron-doped CaMnO3 perovskites: Local lattice distortions and optical phonon thermal excitation
DOI:10.1016/j.actamat.2010.07.052  JN:ACTA MATERIALIA  PY:2010
  TC:7  AU: Wang, Yang;Sui, Yu;Wang, Xianjie;Su, Wenhui;Liu, Xiaoyang;Fan, Hong Jin;
19:32:24     High-temperature thermoelectric characteristics of B-site substituted Yb0.1Ca0.9Mn1-x Nb (x) O-3 system (0a parts per thousand currency signxa parts per thousand currency sign0.1)
DOI:10.1007/s00339-012-7465-6  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2013
  TC:5  AU: Wang, Cailin;Shi, Lei;Xu, Xiaoming;Zhou, Shiming;Zhao, Jiyin;Guo, Yuqiao;Liu, Haifeng;He, Laifa;Cai, Xuan;Xu, Gaojie;
19:32:25     Synthesis and electrical properties of nanocrystalline Ca1-xEuxMn3 +/-delta (0.1 <= x <= 0.4) powders prepared at low temperature using citrate gel method
DOI:10.1016/j.ssi.2009.10.017  JN:SOLID STATE IONICS  PY:2010
  TC:6  AU: Silveira, C.;Lopes, M. E.;Nunes, M. R.;Melo Jorge, M. E.;
19:32:26     Thermoelectric properties of layered Ca3.95RE0.05Mn3O10 compounds (RE = Ce, Nd, Sm, Eu, Gd, Dy)
DOI:10.1016/j.ceramint.2009.11.004  JN:CERAMICS INTERNATIONAL  PY:2010
  TC:4  AU: Lemonnier, S.;Guilmeau, E.;Goupil, C.;Funahashi, R.;Noudem, J. G.;
19:32:27     Thermoelectric oxide modules tested in a solar cavity-receiver
DOI:10.1557/jmr.2011.125  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:3  AU: Tomes, Petr;Suter, Clemens;Trottmann, Matthias;Steinfeld, Aldo;Weidenkaff, Anke;
19:32:28     Thermoelectric Ca0.9Yb0.1MnO3-delta grain growth controlled by spark plasma sintering
DOI:10.1016/j.jeurceramsoc.2013.02.003  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2013
  TC:1  AU: Quetel-Weben, Simon;Retoux, Richard;Noudem, Jacques G.;
19:32:29     Correlation Between the Electronic Structure and the Thermoelectric Properties of Gd-Doped CaMnO3-delta
DOI:10.1007/s11664-013-2969-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Liu, Chia-Jyi;Wang, Wei-Cheng;Yuan, J. -J.;Chen, Jeng-Lung;Wu, Mei-Huei;Chang, Ching-Lin;
19:32:30     Seebeck coefficient of Ln (x) Ca1-x MnO3 perovskites in paramagnetic state
DOI:10.1007/s00339-010-6081-6  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2011
  TC:1  AU: Wang, Yang;Sui, Yu;Wang, Xianjie;Su, Wenhui;
19:32:31     Tunable thermoelectric properties of Ca(0.9)Yh(0.1)MnO(3) through controlling the particle size via ball mill processing
DOI:10.1016/j.ceramint.2014.08.033  JN:CERAMICS INTERNATIONAL  PY:2014
  TC:2  AU: Kabir, Rezaul;Wang, Danyang;Zhang, Tianshu;Tian, Ruoming;Donelson, Richard;Tan, Thiam Teck;Li, Sean;
19:32:32     Magnetic and structural transitions in CaMn0.96Mo0.04O3
DOI:10.1016/j.jallcom.2014.06.179  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Mostovshchikova, E. V.;Zainullina, R. I.;Bebenin, N. G.;Arbuzova, T. I.;Solin, N. I.;Naumov, S. V.;
19:32:33     Thermoelectric and Magnetic Properties of Ca0.98RE0.02MnO3-delta (RE = Sm, Gd, and Dy) (vol 41, pg 2338, 2012)
DOI:10.1007/s11664-012-2365-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Bhaskar, Ankam;Liu, Chia-Jyi;Yuan, J. J.;
19:32:34     Temperature activated electron transport in CaMnO3
DOI:10.1016/j.ssi.2013.12.022  JN:SOLID STATE IONICS  PY:2014
  TC:1  AU: Goldyreva, Ekaterina I.;Leonidov, Ilya A.;Patrakeev, Mikhail V.;Kozhevnikov, Victor L.;
19:33:1     Phase compositions, nanoscale microstructures and thermoelectric properties in Ag2-ySbyTe1+y alloys with precipitated Sb2Te3 plates
DOI:10.1016/j.actamat.2010.04.007  JN:ACTA MATERIALIA  PY:2010
  TC:35  AU: Zhang, S. N.;Zhu, T. J.;Yang, S. H.;Yu, C.;Zhao, X. B.;
19:33:2     Enhanced Figure-of-Merit in Se-Doped p-Type AgSbTe2 Thermoelectric Compound
DOI:10.1021/cm101503y  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:38  AU: Du, Baoli;Li, Han;Xu, Jingjing;Tang, Xinfeng;Uher, Ctirad;
19:33:3     Improved thermoelectric properties of AgSbTe2 based compounds with nanoscale Ag2Te in situ precipitates
DOI:10.1016/j.jallcom.2010.03.170  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:24  AU: Zhang, S. N.;Zhu, T. J.;Yang, S. H.;Yu, C.;Zhao, X. B.;
19:33:4     Reduced thermal conductivity in Pb-alloyed AgSbTe2 thermoelectric materials
DOI:10.1016/j.actamat.2012.07.057  JN:ACTA MATERIALIA  PY:2012
  TC:6  AU: Wu, Hsin-jay;Chen, Sinn-wen;Ikeda, Teruyuki;Snyder, G. Jeffrey;
19:33:5     Enhanced thermoelectric performance in Na-doped p-type nonstoichiometric AgSbTe2 compound
DOI:10.1016/j.jallcom.2010.10.131  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:9  AU: Du, B. L.;Li, H.;Tang, X. F.;
19:33:6     Interfacial disconnections at Sb2Te3 precipitates in PbTe: Mechanisms of strain accommodation and phase transformation at a tetradymite/rocksalt telluride interface
DOI:10.1016/j.actamat.2011.08.043  JN:ACTA MATERIALIA  PY:2011
  TC:7  AU: Heinz, N. A.;Ikeda, T.;Snyder, G. J.;Medlin, D. L.;
19:33:7     High thermoelectric figure of merit and nanostructuring in bulk AgSbTe2
DOI:10.1039/c0jm00138d  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2010
  TC:20  AU: Xu, Jingjing;Li, Han;Du, Baoli;Tang, Xinfeng;Zhang, Qingjie;Uher, Ctirad;
19:33:8     Interfacial defect structure at Sb2Te3 precipitates in the thermoelectric compound AgSbTe2
DOI:10.1016/j.scriptamat.2009.11.028  JN:SCRIPTA MATERIALIA  PY:2010
  TC:14  AU: Medlin, D. L.;Sugar, J. D.;
19:33:9     Influence of nanostructuring and heterogeneous nucleation on the thermoelectric figure of merit in AgSbTe2
DOI:10.1063/1.3446094  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:13  AU: Sharma, P. A.;Sugar, J. D.;Medlin, D. L.;
19:33:10     Enhanced thermoelectric performance in Bi-doped p-type AgSbTe2 compounds
DOI:10.1063/1.4828478  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:4  AU: Mohanraman, Rajeshkumar;Sankar, Raman;Chou, F. C.;Lee, C. H.;Chen, Yang-Yuan;
19:33:11     Phonon scattering rates and atomic ordering in Ag1-xSb1+xTe2+x (x=0,0.1,0.2) investigated with inelastic neutron scattering and synchrotron diffraction
DOI:10.1103/PhysRevB.90.134303  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Ma, J.;Delaire, O.;Specht, E. D.;May, A. F.;Gourdon, O.;Budai, J. D.;McGuire, M. A.;Hong, T.;Abernathy, D. L.;Ehlers, G.;Karapetrova, E.;
19:33:12     Compositional Sensitivity of Microstructures and Thermoelectric Properties of Ag1-x Pb18Sb1+y Te-20 Compounds
DOI:10.1007/s11664-012-2283-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Perlt, S.;Hoeche, Th.;Dadda, J.;Mueller, E.;Rauschenbach, B.;
19:33:13     Influence of nanoscale Ag2Te precipitates on the thermoelectric properties of the Sn doped P-type AgSbTe2 compound
DOI:10.1063/1.4896435  JN:APL MATERIALS  PY:2014
  TC:0  AU: Mohanraman, Rajeshkumar;Sankar, Raman;Chou, Fang-Cheng;Lee, Chih-Hao;Iizuka, Yoshiyuki;Muthuselvam, I. Panneer;Chen, Yang-Yuan;
19:33:14     Influence of In doping on the thermoelectric properties of an AgSbTe2 compound with enhanced figure of merit
DOI:10.1039/c3ta14547f  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:3  AU: Mohanraman, Rajeshkumar;Sankar, Raman;Boopathi, Karunakara Moorthy;Chou, Fang-Cheng;Chu, Chih-Wei;Lee, Chih-Hao;Chen, Yang-Yuan;
19:33:15     Electron Transport Properties of La-Doped AgSbTe2 Thermoelectric Compounds
DOI:10.1007/s13391-011-0914-0  JN:ELECTRONIC MATERIALS LETTERS  PY:2011
  TC:9  AU: Min, Bok-Ki;Kim, Bong-Seo;Kim, In-Hye;Lee, Jae-Ki;Kim, Myong-Ho;Oh, Min-Wook;Park, Su-Dong;Lee, Hee-Woong;
19:33:16     Solid-state precipitation of stable and metastable layered compounds in thermoelectric AgSbTe2
DOI:10.1007/s10853-010-4984-4  JN:JOURNAL OF MATERIALS SCIENCE  PY:2011
  TC:10  AU: Sugar, J. D.;Medlin, D. L.;
19:33:17     Natural nanostructure and superlattice nanodomains in AgSbTe2
DOI:10.1063/1.4870576  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Carlton, Christopher E.;De Armas, Ricardo;Ma, Jie;May, Andrew F.;Delaire, Olivier;Shao-Horn, Yang;
19:33:18     Impact of In Situ Generated Ag2Te Nanoparticles on the Microstructure and Thermoelectric Properties of AgSbTe2 Compounds
DOI:10.1007/s11664-011-1620-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Du, B.;Xu, J.;Zhang, W.;Tang, X.;
19:33:19     Effect of Ce Substitution for Sb on the Thermoelectric Properties of AgSbTe2 Compound
DOI:10.1007/s11664-014-3076-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Du, B.;Li, H.;Tang, X.;
19:33:20     SnTe-AgSbTe2 Thermoelectric Alloys
DOI:10.1002/aenm.201100460  JN:ADVANCED ENERGY MATERIALS  PY:2012
  TC:15  AU: Chen, Yi;Nielsen, Michele D.;Gao, Yi-Bin;Zhu, Tie-Jun;Zhao, Xinbing;Heremans, Joseph P.;
19:33:21     Invited Paper: Composition-Dependent Electrical Properties of Ternary AgxSb1-xTey Thin Films Synthesized by Cationic Exchange Reaction
DOI:10.1007/s13391-012-2041-y  JN:ELECTRONIC MATERIALS LETTERS  PY:2012
  TC:0  AU: Jung, Hyunsung;Park, Hosik;Choa, Yongho;Myung, Nosang V.;
19:33:22     Effect of GaSb Addition on the Thermoelectric Properties of Mg2Si0.5Sn0.5 Solid Solutions
DOI:10.1007/s11664-011-1886-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Du, Z. L.;Jiang, G. Y.;Chen, Y.;Gao, H. L.;Zhu, T. J.;Zhao, X. B.;
19:33:23     Thermoelectric properties of AgSbTe2 from first-principles calculations
DOI:10.1063/1.4895062  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Rezaei, Nafiseh;Hashemifar, S. Javad;Akbarzadeh, Hadi;
19:33:24     High Power Factor of HPHT-Sintered GeTe-AgSbTe2 Alloys
DOI:10.1007/s11664-010-1383-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:2  AU: Dong, Yongkwan;Malik, Abds-Sami;Disalvo, Francis J.;
19:34:1     Thermoelectric Properties of Undoped High Purity Higher Manganese Silicides Grown by Chemical Vapor Transport
DOI:10.1021/cm5023823  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:3  AU: Girard, Steven N.;Chen, Xi;Meng, Fei;Pokhrel, Ankit;Zhou, Jianshi;Shi, Li;Jin, Song;
19:34:2     Approaching the Minimum Thermal Conductivity in Rhenium-Substituted Higher Manganese Silicides
DOI:10.1002/aenm.201400452  JN:ADVANCED ENERGY MATERIALS  PY:2014
  TC:7  AU: Chen, Xi;Girard, Steven N.;Meng, Fei;Lara-Curzio, Edgar;Jin, Song;Goodenough, John B.;Zhou, Jianshi;Shi, Li;
19:34:3     Effects of (Al,Ge) double doping on the thermoelectric properties of higher manganese silicides
DOI:10.1063/1.4828731  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:7  AU: Chen, Xi;Weathers, Annie;Salta, Daniel;Zhang, Libin;Zhou, Jianshi;Goodenough, John B.;Shi, Li;
19:34:4     Improved Thermoelectric Properties of Al-Doped Higher Manganese Silicide Prepared by a Rapid Solidification Method
DOI:10.1007/s11664-011-1612-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:27  AU: Luo, Wenhui;Li, Han;Fu, Fan;Hao, Wen;Tang, Xinfeng;
19:34:5     Substitutional Atom Influence on the Electronic and Transport Properties of Mn4Si7
DOI:10.1007/s11664-013-2936-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Allam, Ali;Boulet, Pascal;Record, Marie-Christine;
19:34:6     Effect of Cr and Fe Substitution on the Transport Properties of the Nowotny Chimney-Ladder MnSi delta (1.73 < delta < 1.75) Compounds
DOI:10.1007/s11664-011-1843-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:15  AU: Ponnambalam, V.;Morelli, Donald T.;
19:34:7     Microstructure and thermoelectric properties of SiGe-added higher manganese silicides
DOI:10.1016/j.matchemphys.2010.08.017  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2010
  TC:23  AU: Zhou, A. J.;Zhao, X. B.;Zhu, T. J.;Yang, S. H.;Dasgupta, T.;Stiewe, C.;Hassdorf, R.;Mueller, E.;
19:34:8     Improved Thermoelectric Performance of Higher Manganese Silicides with Ge Additions
DOI:10.1007/s11664-009-1034-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:22  AU: Zhou, A. J.;Zhu, T. J.;Zhao, X. B.;Yang, S. H.;Dasgupta, T.;Stiewe, C.;Hassdorf, R.;Mueller, E.;
19:34:9     Silicon-Rich Higher Manganese Silicides for Thermoelectric Applications
DOI:10.1007/s11664-012-1936-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:21  AU: Sadia, Yatir;Gelbstein, Yaniv;
19:34:10     Synthesis, characterization, and thermoelectric properties of nanostructured bulk p-type MnSi1.73, MnSi1.75, and MnSi1.77
DOI:10.1016/j.ceramint.2012.08.086  JN:CERAMICS INTERNATIONAL  PY:2013
  TC:15  AU: Zamanipour, Zahra;Shi, Xinghua;Mozafari, Masoud;Krasinski, Jerzy S.;Tayebi, Lobat;Vashaee, Daryoosh;
19:34:11     On the stability of the Higher Manganese Silicides
DOI:10.1016/j.jallcom.2011.09.081  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:11  AU: Allam, Ali;Nunes, Carlos Angelo;Zalesak, Jakub;Record, Marie-Christine;
19:34:12     The effect of nanostructuring on thermoelectric transport properties of p-type higher manganese silicide MnSi1.73
DOI:10.1063/1.4769884  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:11  AU: Norouzzadeh, Payam;Zamanipour, Zahra;Krasinski, Jerzy S.;Vashaee, Daryoosh;
19:34:13     Stress-induced perovskite to post-perovskite transition in CaIrO3 at room temperature
DOI:10.1103/PhysRevB.82.132103  JN:PHYSICAL REVIEW B  PY:2010
  TC:7  AU: Cheng, J. -G.;Zhou, J. -S.;Goodenough, J. B.;
19:34:14     DFT calculations of electronic and transport properties of substituted Mn4Si7
DOI:10.1016/j.jallcom.2013.09.069  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Allam, A.;Boulet, P.;Record, M. -C.;
19:34:15     Thermoelectric Properties of Cold-Pressed Higher Manganese Silicides for Waste Heat Recovery
DOI:10.1007/s11664-012-1987-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:11  AU: Chen, Xi;Weathers, Annie;Moore, Arden;Zhou, Jianshi;Shi, Li;
19:34:16     Phase transformations in Higher Manganese Silicides
DOI:10.1016/j.jallcom.2012.10.016  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:9  AU: Allam, A.;Boulet, P.;Nunes, C. A.;Sopousek, J.;Broz, P.;Record, M. -C.;
19:34:17     Phase Content Influence on Thermoelectric Properties of Manganese Silicide-Based Materials for Middle-High Temperatures
DOI:10.1007/s11664-013-2507-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:5  AU: Famengo, A.;Battiston, S.;Saleemi, M.;Boldrini, S.;Fiameni, S.;Agresti, F.;Toprak, M. S.;Barison, S.;Fabrizio, M.;
19:34:18     Enhancement of the thermoelectric power factor of MnSi1.7 film by modulation doping of Al and Cu
DOI:10.1007/s00339-013-7794-0  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2014
  TC:4  AU: Hou, Q. R.;Gu, B. F.;Chen, Y. B.;He, Y. J.;Sun, J. L.;
19:34:19     The role of simultaneous substitution of Cr and Ru on the thermoelectric properties of defect manganese silicides MnSi delta (1.73 < delta < 1.75)
DOI:10.1016/j.jallcom.2013.07.136  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:6  AU: Ponnambalam, V.;Morelli, Donald T.;Bhattacharya, S.;Tritt, Terry M.;
19:34:20     Solution Growth and Thermoelectric Properties of Single-Phase MnSi1.75-x
DOI:10.1007/s11664-011-1561-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:12  AU: Udono, H.;Nakamori, K.;Takahashi, Y.;Ujiie, Y.;Ohsugi, I. J.;Iida, T.;
19:34:21     High temperature X-ray diffraction study on incommensurate composite crystal MnSi gamma - (3+1)-dimensional superspace approach
DOI:10.1016/j.jallcom.2014.07.106  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Kikuchi, Y.;Nakajo, T.;Hayashi, K.;Miyazaki, Y.;
19:34:22     Preparation of Higher Manganese Silicide (HMS) bulk and Fe-containing HMS bulk using a Na-Si Melt and their thermoelectrical properties
DOI:10.1016/j.tsf.2011.05.032  JN:THIN SOLID FILMS  PY:2011
  TC:8  AU: Yamada, Takahiro;Miyazaki, Yuzuru;Yamane, Hisanori;
19:34:23     MeV Si ion modifications on the thermoelectric generators from Si/Si plus Ge superlattice nano-layered films
DOI:10.1016/j.apsusc.2014.02.122  JN:APPLIED SURFACE SCIENCE  PY:2014
  TC:0  AU: Budak, S.;Heidary, K.;Johnson, R. B.;Colon, T.;Muntele, C.;Ila, D.;
19:34:24     In Situ Synthesis and Thermoelectric Properties of Cr-Doped Higher Manganese Silicides
DOI:10.1007/s11664-011-1844-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Liu, Guo;Lu, Qingmei;Zhang, Xin;Zhang, Jiuxing;Shi, Yongjun;
19:34:25     Grain size effect on the phase transformations of higher manganese silicide thermoelectric materials: An in situ energy dispersive x-ray diffraction study
DOI:10.1557/jmr.2011.80  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:6  AU: Zhou, Aijun;Zhu, Tiejun;Zhao, Xinbing;Mueller, Eckhard;
19:34:26     Mechanism of the CaIrO3 post-perovskite phase transition under pressure
DOI:10.1103/PhysRevB.88.144102  JN:PHYSICAL REVIEW B  PY:2013
  TC:0  AU: Xiao, Penghao;Cheng, Jin-Guang;Zhou, Jian-Shi;Goodenough, John B.;Henkelman, Graeme;
19:34:27     Thermodynamic description of the Mn-Si system: An experimental and theoretical work
DOI:10.1016/j.jallcom.2014.06.202  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:5  AU: Berche, A.;Ruiz-Theron, E.;Tedenac, J-C;Ayral, R-M;Rouessac, F.;Jund, P.;
19:34:28     Thermoelectric Properties of Higher Manganese Silicides Prepared by Mechanical Alloying and Hot Pressing
DOI:10.1007/s11664-012-2415-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:6  AU: Shin, Dong-Kil;Jang, Kyung-Wook;Ur, Soon-Chul;Kim, Il-Ho;
19:34:29     Mechanical Alloying and Spark Plasma Sintering of Higher Manganese Silicides for Thermoelectric Applications
DOI:10.1007/s11664-013-2476-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:5  AU: Sadia, Yatir;Dinnerman, Liron;Gelbstein, Yaniv;
19:34:30     Solid-State Synthesis and Thermoelectric Properties of Cr-doped MnSi1.75-delta
DOI:10.1007/s11664-014-2980-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Shin, Dong-Kil;Ur, Soon-Chul;Jang, Kyung-Wook;Kim, Il-Ho;
19:34:31     Effects of Spark Plasma Sintering Temperature on Thermoelectric Properties of Higher Manganese Silicide
DOI:10.1007/s11664-013-2623-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: An, Tae-Ho;Choi, Soon-Mok;Seo, Won-Seon;Park, Chan;Kim, Il-Ho;Kim, Sun-Uk;
19:34:32     Submicron Features in Higher Manganese Silicide
DOI:10.1155/2013/701268  JN:JOURNAL OF NANOMATERIALS  PY:2013
  TC:3  AU: Sadia, Yatir;Elegrably, Mor;Ben-Nun, Oren;Marciano, Yossi;Gelbstein, Yaniv;
19:34:33     Preparation of n-type nano-scale MnSi1.7 films by addition of iron
DOI:10.1016/j.matchemphys.2010.01.016  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2010
  TC:5  AU: Hou, Q. R.;Zhao, W.;Chen, Y. B.;He, Y. J.;
19:34:34     Magnetisation of bulk Mn11Si19 and Mn4Si7
DOI:10.1016/j.tsf.2011.05.041  JN:THIN SOLID FILMS  PY:2011
  TC:4  AU: Hammura, K.;Udono, H.;Ohsugi, I. J.;Aono, T.;De Ranieri, E.;
19:35:1     Order-Disorder Transition in AgCrSe2: a New Route to Efficient Thermoelectrics
DOI:10.1021/cm200581k  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:38  AU: Gascoin, Franck;Maignan, Antoine;
19:35:2     Superionic Phase Transition in Silver Chalcogenide Nanocrystals Realizing Optimized Thermoelectric Performance
DOI:10.1021/ja2104476  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:33  AU: Xiao, Chong;Xu, Jie;Li, Kun;Peng, Jun;Yang, Jinlong;Xie, Yi;
19:35:3     CuCrSe2: a high performance phonon glass and electron crystal thermoelectric material
DOI:10.1039/c3ta11903c  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:10  AU: Bhattacharya, Shovit;Basu, Ranita;Bhatt, Ranu;Pitale, S.;Singh, Ajay;Aswal, D. K.;Gupta, S. K.;Navaneethan, M.;Hayakawa, Y.;
19:35:4     Ultrahigh Thermoelectric Performance by Electron and Phonon Critical Scattering in Cu2Se1-xIx
DOI:10.1002/adma.201302660  JN:ADVANCED MATERIALS  PY:2013
  TC:33  AU: Liu, Huili;Yuan, Xun;Lu, Ping;Shi, Xun;Xu, Fangfang;He, Ying;Tang, Yunshan;Bai, Shengqiang;Zhang, Wenqing;Chen, Lidong;Lin, Yue;Shi, Lei;Lin, He;Gao, Xingyu;Zhang, Xingmin;Chi, Hang;Uher, Ctirad;
19:35:5     Thermoelectric transport of Se-rich Ag2Se in normal phases and phase transitions
DOI:10.1063/1.4870509  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:2  AU: Mi, Wenlong;Qiu, Pengfei;Zhang, Tiansong;Lv, Yanhong;Shi, Xun;Chen, Lidong;
19:35:6     High thermoelectric performance of (AgCrSe2)(0.5)(CuCrSe2)(0.5) nano-composites having all-scale natural hierarchical architectures
DOI:10.1039/c4ta04056b  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:1  AU: Bhattacharya, Shovit;Bohra, Anil;Basu, Ranita;Bhatt, Ranu;Ahmad, Sajid;Meshram, K. N.;Debnath, A. K.;Singh, Ajay;Sarkar, Shaibal K.;Navneethan, M.;Hayakawa, Y.;Aswal, D. K.;Gupta, S. K.;
19:35:7     Thermoelectric properties of copper selenide with ordered selenium layer and disordered copper layer
DOI:10.1016/j.nanoen.2012.02.010  JN:NANO ENERGY  PY:2012
  TC:32  AU: Yu, Bo;Liu, Weishu;Chen, Shuo;Wang, Hui;Wang, Hengzhi;Chen, Gang;Ren, Zhifeng;
19:35:8     Ambient Scalable Synthesis of Surfactant-Free Thermoelectric CuAgSe Nanoparticles with Reversible Metallic-n-p Conductivity Transition
DOI:10.1021/ja510433j  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:0  AU: Han, Chao;Sun, Qiao;Cheng, Zhen Xiang;Wang, Jian Li;Li, Zhen;Lu, Gao Qing (Max);Dou, Shi Xue;
19:35:9     Thermoelectric properties of Ag-doped Cu2Se and Cu2Te
DOI:10.1039/c3ta12508d  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:20  AU: Ballikaya, Sedat;Chi, Hang;Salvador, James R.;Uher, Ctirad;
19:35:10     Improved thermoelectric performance of hot pressed nanostructured n-type SiGe bulk alloys
DOI:10.1039/c3ta14259k  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:17  AU: Basu, Ranita;Bhattacharya, Shovit;Bhatt, Ranu;Roy, Mainak;Ahmad, Sajid;Singh, Ajay;Navaneethan, M.;Hayakawa, Y.;Aswal, D. K.;Gupta, S. K.;
19:35:11     Enhancing thermoelectric properties of Cu1.81+xSe compounds
DOI:10.1557/jmr.2014.90  JN:JOURNAL OF MATERIALS RESEARCH  PY:2014
  TC:1  AU: Zou, Liang;Zhang, Bo-Ping;Ge, Zhen-Hua;Zhang, Li-Juan;
19:35:12     Phase transition enhanced thermoelectric figure-of-merit in copper chalcogenides
DOI:10.1063/1.4827595  JN:APL MATERIALS  PY:2013
  TC:17  AU: Brown, David R.;Day, Tristan;Borup, Kasper A.;Christensen, Sebastian;Iversen, Bo B.;Snyder, G. Jeffrey;
19:35:13     Structure-transformation-induced abnormal thermoelectric properties in semiconductor copper selenide
DOI:10.1016/j.matlet.2012.11.058  JN:MATERIALS LETTERS  PY:2013
  TC:18  AU: Liu, Huili;Shi, Xun;Kirkham, Melanie;Wang, Hsin;Li, Qiang;Uher, Ctirad;Zhang, Wenqing;Chen, Lidong;
19:35:14     Are Binary Copper Sulfides/Selenides Really New and Promising Thermoelectric Materials?
DOI:10.1002/aenm.201301581  JN:ADVANCED ENERGY MATERIALS  PY:2014
  TC:10  AU: Dennler, Gilles;Chmielowski, Radoslaw;Jacob, Stephane;Capet, Frederic;Roussel, Pascal;Zastrow, Sebastian;Nielsch, Kornelius;Opahle, Ingo;Madsen, Georg K. H.;
19:35:15     Thermoelectric Transport in Cu7PSe6 with High Copper Ionic Mobility
DOI:10.1021/ja5056092  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:0  AU: Weldert, Kai S.;Zeier, Wolfgang G.;Day, Tristan W.;Panthoefer, Martin;Snyder, G. Jeffrey;Tremel, Wolfgang;
19:35:16     Acoustic phonon scattering in Bi2Te3/Sb2Te3 superlattices
DOI:10.1063/1.3483767  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:12  AU: Wang, Yaguo;Liebig, Carl;Xu, Xianfan;Venkatasubramanian, Rama;
19:35:17     Evaluating the potential for high thermoelectric efficiency of silver selenide
DOI:10.1039/c3tc31810a  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2013
  TC:7  AU: Day, Tristan;Drymiotis, Fivos;Zhang, Tiansong;Rhodes, Daniel;Shi, Xun;Chen, Lidong;Snyder, G. Jeffrey;
19:35:18     Mechanically alloyed beta-Ag2Te in thermoelectric Bi2Se0.01Te2.99
DOI:10.1016/j.matlet.2013.11.048  JN:MATERIALS LETTERS  PY:2014
  TC:0  AU: Chayasombat, Bralee;Henpraserttae, Suparoek;Boothroyd, Chris;Thanachayanont, Chanchana;
19:35:19     Screening of the alkali-metal ion containing materials from the Inorganic Crystal Structure Database (ICSD) for high ionic conductivity pathways using the bond valence method
DOI:10.1016/j.ssi.2012.02.014  JN:SOLID STATE IONICS  PY:2012
  TC:8  AU: Avdeev, Max;Sale, Matthew;Adams, Stefan;Rao, R. Prasada;
19:35:20     Anomalous transport and thermoelectric performances of CuAgSe compounds
DOI:10.1016/j.ssi.2014.03.025  JN:SOLID STATE IONICS  PY:2014
  TC:7  AU: Hong, A. J.;Li, T.;Zhu, H. X.;Zhou, X. H.;He, Q. Y.;Liu, W. S.;Yan, Z. B.;Liu, J. -M.;Ren, Z. F.;
19:35:21     Thermoelectric properties of molten Bi2Te3, CuI, and AgI
DOI:10.1063/1.4788729  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:3  AU: Nishikawa, Kazutaka;Takeda, Yasuhiko;Motohiro, Tomoyoshi;
19:35:22     High superionic conduction arising from aligned large lamellae and large figure of merit in bulk Cu1.94Al0.02Se
DOI:10.1063/1.4896520  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Zhong, Bin;Zhang, Yong;Li, Weiqian;Chen, Zhenrui;Cui, Jingying;Li, Wei;Xie, Yuandong;Hao, Qing;He, Qinyu;
19:35:23     Neutron diffraction study of diffuse scattering in Cu2-delta Se superionic compounds
DOI:10.1016/j.jallcom.2011.02.101  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:4  AU: Danilkin, S. A.;Avdeev, M.;Sakuma, T.;Macquart, R.;Ling, C. D.;
19:35:24     Chemical Stability of (Ag,Cu)(2)Se: a Historical Overview
DOI:10.1007/s11664-013-2506-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:16  AU: Brown, David R.;Day, Tristan;Caillat, Thierry;Snyder, G. Jeffrey;
19:35:25     Neutron scattering study of ionic diffusion in Cu-Se superionic compounds
DOI:10.1016/j.ssi.2012.02.046  JN:SOLID STATE IONICS  PY:2012
  TC:2  AU: Danilkin, S. A.;Avdeev, M.;Sale, M.;Sakuma, T.;
19:35:26     Thermoelectric Properties of Ag-Doped n-Type (Bi2-xAgxTe3)(0.96)-(Bi2Se3)(0.04) Pseudobinary Alloys
DOI:10.1007/s11664-011-1568-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Zhang, Xin;Ma, Xu-yi;Lu, Qing-mei;Zhang, Fei-peng;Liu, Yan-qin;Zhang, Jiu-xing;Wang, Lei;
19:35:27     Largely enhanced thermoelectric properties of the binary-phased PbTe-Sb2Te3 nanocomposites
DOI:10.1557/jmr.2011.441  JN:JOURNAL OF MATERIALS RESEARCH  PY:2012
  TC:2  AU: Lu, Pengxian;Wang, Xingbang;Lu, Manman;
19:35:28     Order-disorder phenomena in layered CuCrSe2 crystals
DOI:10.1016/j.matchemphys.2014.03.024  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2014
  TC:1  AU: Gagor, A.;Gnida, D.;Pietraszko, A.;
19:35:29     Copper ion liquid-like thermoelectrics
DOI:10.1038/NMAT3273  JN:NATURE MATERIALS  PY:2012
  TC:167  AU: Liu, Huili;Shi, Xun;Xu, Fangfang;Zhang, Linlin;Zhang, Wenqing;Chen, Lidong;Li, Qiang;Uher, Ctirad;Day, Tristan;Snyder, G. Jeffrey;
19:35:30     Transport Properties of an Intermetallic with Pseudo-hollandite Structure as a Potential Thermoelectric Material: The Example of TlxCr5Se8
DOI:10.1021/cm400365q  JN:CHEMISTRY OF MATERIALS  PY:2013
  TC:3  AU: Takahashi, Hidefumi;Raghavendra, Nunna;Gascoin, Franck;Pelloquin, Denis;Hebert, Sylvie;Guilmeau, Emmanuel;
19:35:31     Low-Temperature Thermoelectric Properties of beta-Ag2Se Synthesized by Hydrothermal Reaction
DOI:10.1007/s11664-010-1484-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:1  AU: Wang, Hanfu;Chu, Weiguo;Wang, Dongwei;Mao, Weichen;Pan, Wenzhi;Guo, Yanjun;Xiong, Yufeng;Jin, Hao;
19:35:32     Cooling effect of nanoscale Bi2Te3/Sb2Te3 multilayered thermoelectric thin films
DOI:10.1116/1.4725483  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A  PY:2012
  TC:3  AU: Hines, Mardecial;Lenhardt, Joshua;Lu, Ming;Jiang, Li;Xiao, Zhigang;
19:36:1     Effect of Sr substitution for Ca on the Ca3Co4O9 thermoelectric properties
DOI:10.1016/j.jallcom.2013.07.005  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:14  AU: Constantinescu, G.;Rasekh, Sh;Torres, M. A.;Diez, J. C.;Madre, M. A.;Sotelo, A.;
19:36:2     Granular and Lamellar Thermoelectric Oxides Consolidated by Spark Plasma Sintering
DOI:10.1007/s11664-011-1550-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:22  AU: Noudem, J. G.;Kenfaui, D.;Chateigner, D.;Gomina, M.;
19:36:3     Enhancement of Ca3Co4O9 thermoelectric properties by Cr for Co substitution
DOI:10.1016/j.ceramint.2013.01.021  JN:CERAMICS INTERNATIONAL  PY:2013
  TC:24  AU: Diez, J. C.;Torres, M. A.;Rasekh, Sh;Constantinescu, G.;Madre, M. A.;Sotelo, A.;
19:36:4     Enhancement of the thermoelectric properties of directionally grown Bi-Ca-Co-O through Pb for Bi substitution
DOI:10.1016/j.jeurceramsoc.2010.01.037  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2010
  TC:33  AU: Sotelo, A.;Guilmeau, E.;Rasekh, Sh.;Madre, M. A.;Marinel, S.;Diez, J. C.;
19:36:5     Effect of Ga addition on Ca-deficient Ca3Co4Oy thermoelectric materials
DOI:10.1016/j.ceramint.2013.11.083  JN:CERAMICS INTERNATIONAL  PY:2014
  TC:5  AU: Constantinescu, G.;Madre, M. A.;Rasekh, Sh.;Torres, M. A.;Diez, J. C.;Sotelo, A.;
19:36:6     Preparation of high-performance Ca3Co4O9 thermoelectric ceramics produced by a new two-step method
DOI:10.1016/j.jeurceramsoc.2013.01.029  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2013
  TC:18  AU: Madre, M. A.;Costa, F. M.;Ferreira, N. M.;Sotelo, A.;Torres, M. A.;Constantinescu, G.;Rasekh, Sh;Diez, J. C.;
19:36:7     Improvement of thermoelectric properties of Ca3Co4O9 using soft chemistry synthetic methods
DOI:10.1016/j.jeurceramsoc.2012.02.012  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2012
  TC:24  AU: Sotelo, A.;Constantinescu, G.;Rasekh, Sh;Torres, M. A.;Diez, J. C.;Madre, M. A.;
19:36:8     Solution-based synthesis routes to thermoelectric Bi2Ca2Co1.7Ox
DOI:10.1016/j.jeurceramsoc.2011.03.008  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2011
  TC:24  AU: Sotelo, A.;Rasekh, Sh;Madre, M. A.;Guilmeau, E.;Marinel, S.;Diez, J. C.;
19:36:9     Improvement of textured Bi1.6Pb0.4Sr2Co1.8Ox thermoelectric performances by metallic Ag additions
DOI:10.1016/j.ceramint.2012.07.112  JN:CERAMICS INTERNATIONAL  PY:2013
  TC:16  AU: Sotelo, A.;Rasekh, Sh.;Constantinescu, G.;Torres, M. A.;Madre, M. A.;Diez, J. C.;
19:36:10     New method to improve the grain alignment and performance of thermoelectric ceramics
DOI:10.1016/j.matlet.2012.05.131  JN:MATERIALS LETTERS  PY:2012
  TC:26  AU: Ferreira, N. M.;Rasekh, Sh;Costa, F. M.;Madre, M. A.;Sotelo, A.;Diez, J. C.;Torres, M. A.;
19:36:11     Enhancement of the high-temperature thermoelectric performance of Bi2Ba2Co2Ox ceramics
DOI:10.1016/j.scriptamat.2012.09.014  JN:SCRIPTA MATERIALIA  PY:2013
  TC:18  AU: Constantinescu, G.;Rasekh, Sh.;Torres, M. A.;Madre, M. A.;Diez, J. C.;Sotelo, A.;
19:36:12     Effect of Ag addition on the mechanical and thermoelectric performances of annealed Bi2Sr2Co1.8Ox textured ceramics
DOI:10.1016/j.jeurceramsoc.2012.05.035  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2012
  TC:20  AU: Sotelo, A.;Torres, M. A.;Constantinescu, G.;Rasekh, Sh.;Diez, J. C.;Madre, M. A.;
19:36:13     Improved Thermoelectric Properties of Bi-M-Co-O (M = Sr, Ca) Misfit Compounds by Laser Directional Solidification
DOI:10.1007/s11664-010-1232-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:24  AU: Diez, J. C.;Rasekh, S. H.;Madre, M. A.;Guilmeau, E.;Marinel, S.;Sotelo, A.;
19:36:14     Intrinsically modified thermoelectric performance of alkaline-earth isovalently substituted [Bi(2)AE(2)O(4)][CoO2](y) single crystals
DOI:10.1063/1.4816315  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:15  AU: Sun, N.;Dong, S. T.;Zhang, B. B.;Chen, Y. B.;Zhou, J.;Zhang, S. T.;Gu, Z. B.;Yao, S. H.;Chen, Y. F.;
19:36:15     Phase diagram of the pseudobinary system Bi-Co-O
DOI:10.1016/j.jeurceramsoc.2013.04.035  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2013
  TC:12  AU: Jankovsky, O.;Sedmidubsky, D.;Sofer, Z.;
19:36:16     Oxygen non-stoichiometry and thermodynamic properties of Bi2Sr2CoO6+delta ceramics
DOI:10.1016/j.jeurceramsoc.2013.11.008  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2014
  TC:8  AU: Jankovsky, O.;Sedmidubsky, D.;Sofer, Z.;Rubesova, K.;Ruzicka, K.;Svoboda, P.;
19:36:17     New solution method to produce high performance thermoelectric ceramics: A case study of Bi-Sr-Co-O
DOI:10.1016/j.matlet.2010.08.041  JN:MATERIALS LETTERS  PY:2010
  TC:17  AU: Madre, M. A.;Rasekh, Sh.;Diez, J. C.;Sotelo, A.;
19:36:18     Improvement of thermoelectric performances of Bi2Sr2Co1.8Ox textured materials by Pb addition using a polymer solution method
DOI:10.1016/j.matlet.2012.02.026  JN:MATERIALS LETTERS  PY:2012
  TC:6  AU: Madre, M. A.;Torres, M. A.;Rasekh, Sh.;Diez, J. C.;Sotelo, A.;
19:36:19     Development of a new thermoelectric Bi2Ca2Co1.7Ox + Ca3Co4O9 composite
DOI:10.1016/j.scriptamat.2014.01.032  JN:SCRIPTA MATERIALIA  PY:2014
  TC:2  AU: Rasekh, Sh;Ferreira, N. M.;Costa, F. M.;Constantineseu, G.;Madre, M. A.;Torres, M. A.;Diez, J. C.;Sotelo, A.;
19:36:20     Relation between Seebeck Coefficient and Lattice Parameters of (Ca2-ySryCoO3)(x)CoO2
DOI:10.1007/s11664-012-1983-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Kwon, O-Jong;Jo, Wook;Yoon, Sejin;Shin, Dongmin;You, Hyunwoo;Choi, Kyeongdal;Kim, Jin-Sang;Park, Chan;
19:37:1     Quantitative Thermometry of Nanoscale Hot Spots
DOI:10.1021/nl203169t  JN:NANO LETTERS  PY:2012
  TC:37  AU: Menges, Fabian;Riel, Heike;Stemmer, Andreas;Gotsmann, Bernd;
19:37:2     Quantitative Thermal Imaging of Single-Walled Carbon Nanotube Devices by Scanning Joule Expansion Microscopy
DOI:10.1021/nn304083a  JN:ACS NANO  PY:2012
  TC:12  AU: Xie, Xu;Grosse, Kyle L.;Song, Jizhou;Lu, Chaofeng;Dunham, Simon;Du, Frank;Islam, Ahmad E.;Li, Yuhang;Zhang, Yihui;Pop, Eric;Huang, Yonggang;King, William P.;Rogers, John A.;
19:37:3     Probing Maxwell's Demon with a Nanoscale Thermometer
DOI:10.1021/nn401027u  JN:ACS NANO  PY:2013
  TC:10  AU: Bergfield, Justin P.;Story, Shauna M.;Stafford, Robert C.;Stafford, Charles A.;
19:37:4     Ultra-High Vacuum Scanning Thermal Microscopy for Nanometer Resolution Quantitative Thermometry
DOI:10.1021/nn300774n  JN:ACS NANO  PY:2012
  TC:28  AU: Kim, Kyeongtae;Jeong, Wonho;Lee, Woochul;Reddy, Pramod;
19:37:5     Luttinger-field approach to thermoelectric transport in nanoscale conductors
DOI:10.1103/PhysRevB.90.115116  JN:PHYSICAL REVIEW B  PY:2014
  TC:1  AU: Eich, F. G.;Principi, A.;Di Ventra, M.;Vignale, G.;
19:37:6     Quantitative Measurement with Scanning Thermal Microscope by Preventing the Distortion Due to the Heat Transfer through the Air
DOI:10.1021/nn2026325  JN:ACS NANO  PY:2011
  TC:25  AU: Kim, Kyeongtae;Chung, Jaehun;Hwang, Gwangseok;Kwon, Ohmyoung;Lee, Joon Sik;
19:37:7     Measurement of Thermoelectric Properties of Single Semiconductor Nanowires
DOI:10.1007/s11664-012-2409-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:11  AU: Karg, S.;Mensch, P.;Gotsmann, B.;Schmid, H.;Das Kanungo, P.;Ghoneim, H.;Schmidt, V.;Bjoerk, M. T.;Troncale, V.;Riel, H.;
19:37:8     Nanoscale Thermometry Using Point Contact Thermocouples
DOI:10.1021/nl101354e  JN:NANO LETTERS  PY:2010
  TC:26  AU: Sadat, Seid;Tan, Aaron;Chua, Yi Jie;Reddy, Pramod;
19:37:9     Local and effective temperatures of quantum driven systems
DOI:10.1103/PhysRevB.81.041301  JN:PHYSICAL REVIEW B  PY:2010
  TC:19  AU: Caso, Alvaro;Arrachea, Liliana;Lozano, Gustavo S.;
19:37:10     Atomistic modeling of coupled electron-phonon transport in nanowire transistors
DOI:10.1103/PhysRevB.89.235311  JN:PHYSICAL REVIEW B  PY:2014
  TC:1  AU: Rhyner, Reto;Luisier, Mathieu;
19:37:11     Local temperatures and heat flow in quantum driven systems
DOI:10.1103/PhysRevB.83.165419  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: Caso, Alvaro;Arrachea, Liliana;Lozano, Gustavo S.;
19:37:12     Quantitative Heat Dissipation Characteristics in Current-Carrying GaN Nanowires Probed by Combining Scanning Thermal Microscopy and Spatially Resolved Raman Spectroscopy
DOI:10.1021/nn102818s  JN:ACS NANO  PY:2011
  TC:9  AU: Soudi, Afsoon;Dawson, Robert D.;Gu, Yi;
19:37:13     Local temperature of out-of-equilibrium quantum electron systems
DOI:10.1103/PhysRevB.90.035407  JN:PHYSICAL REVIEW B  PY:2014
  TC:1  AU: Meair, J.;Bergfield, J. P.;Stafford, C. A.;Jacquod, Ph.;
19:37:14     Quantification of thermal and contact resistances of scanning thermal probes
DOI:10.1063/1.4902075  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Kim, Kyeongtae;Jeong, Wonho;Lee, Woochul;Sadat, Seid;Thompson, Dakotah;Meyhofer, Edgar;Reddy, Pramod;
19:37:15     Influence of anharmonic phonon decay on self-heating in Si nanowire transistors
DOI:10.1063/1.4893378  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Rhyner, Reto;Luisier, Mathieu;
19:37:16     Temperature and voltage probes far from equilibrium
DOI:10.1103/PhysRevB.85.125120  JN:PHYSICAL REVIEW B  PY:2012
  TC:6  AU: Jacquet, Ph A.;Pillet, C. -A.;
19:37:17     Current Patterns and Orbital Magnetism in Mesoscopic dc Transport
DOI:10.1103/PhysRevLett.113.136602  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:0  AU: Walz, Michael;Wilhelm, Jan;Evers, Ferdinand;
19:37:18     Quantitative Thermopower Profiling across a Silicon p-n Junction with Nanometer Resolution
DOI:10.1021/nl301359c  JN:NANO LETTERS  PY:2012
  TC:3  AU: Lee, Byeonghee;Kim, Kyeongtae;Lee, Seungkoo;Kim, Jong Hoon;Lim, Dae Soon;Kwon, Ohmyoung;Lee, Joon Sik;
19:37:19     Quantifying the local Seebeck coefficient with scanning thermoelectric microscopy
DOI:10.1063/1.4829755  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:1  AU: Walrath, J. C.;Lin, Y. H.;Pipe, K. P.;Goldman, R. S.;
19:37:20     Thermoelectric measurements using different tips in atomic force microscopy
DOI:10.1063/1.3581073  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:3  AU: Kushvaha, S. S.;Hofbauer, W.;Loke, Y. C.;Singh, Samarendra P.;O'Shea, S. J.;
19:37:21     ac heating-dc detecting method for Seebeck coefficient measurement of the thermoelectric micro/nano devices
DOI:10.1116/1.4750497  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2012
  TC:1  AU: Miao, Tingting;Ma, Weigang;Zhang, Xing;
19:37:22     Scattering theory of current-induced spin polarization
DOI:10.1088/0957-4484/21/27/274006  JN:NANOTECHNOLOGY  PY:2010
  TC:4  AU: Jacquod, Ph;
19:37:23     An investigation of heat transfer between a microcantilever and a substrate for improved thermal topography imaging
DOI:10.1088/0957-4484/25/36/365501  JN:NANOTECHNOLOGY  PY:2014
  TC:0  AU: Somnath, Suhas;King, William P.;
19:37:24     A New Twist on Scanning Thermal Microscopy
DOI:10.1021/nl203531f  JN:NANO LETTERS  PY:2012
  TC:5  AU: McConney, Michael E.;Kulkarni, Dhaval D.;Jiang, Hao;Bunning, Timothy J.;Tsukruk, Vladimir V.;
19:37:25     Nanomechanical characterization of thermally evaporated Cr thin films - FE analysis of the substrate effect
DOI:10.1016/j.tsf.2010.07.055  JN:THIN SOLID FILMS  PY:2010
  TC:5  AU: Kataria, S.;Goyal, Sunil;Dash, S.;Tyagi, A. K.;
19:37:26     Coarsening of disordered quantum rotors under a bias voltage
DOI:10.1103/PhysRevB.82.174203  JN:PHYSICAL REVIEW B  PY:2010
  TC:2  AU: Aron, Camille;Biroli, Giulio;Cugliandolo, Leticia F.;
19:38:1     Influence of germanium nano-inclusions on the thermoelectric power factor of bulk bismuth telluride alloy
DOI:10.1063/1.4873239  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Satyala, Nikhil;Rad, Armin Tahmasbi;Zamanipour, Zahra;Norouzzadeh, Payam;Krasinski, Jerzy S.;Tayebi, Lobat;Vashaee, Daryoosh;
19:38:2     Comparison of thermoelectric properties of p-type nanostructured bulk Si0.8Ge0.2 alloy with Si0.8Ge0.2 composites embedded with CrSi2 nano-inclusisons
DOI:10.1063/1.4764919  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:14  AU: Zamanipour, Zahra;Vashaee, Daryoosh;
19:38:3     Reduction of thermal conductivity of bulk nanostructured bismuth telluride composites embedded with silicon nano-inclusions
DOI:10.1063/1.4861727  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Satyala, Nikhil;Rad, Armin Tahmasbi;Zamanipour, Zahra;Norouzzadeh, Payam;Krasinski, Jerzy S.;Tayebi, Lobat;Vashaee, Daryoosh;
19:38:4     Simultaneous enhancement of mechanical and thermoelectric properties of polycrystalline magnesium silicide with conductive glass inclusion
DOI:10.1016/j.actamat.2014.04.007  JN:ACTA MATERIALIA  PY:2014
  TC:4  AU: Satyala, Nikhil;Krasinski, Jerzy S.;Vashaee, Daryoosh;
19:38:5     The effect of phase heterogeneity on thermoelectric properties of nanostructured silicon germanium alloy
DOI:10.1063/1.4813474  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:9  AU: Zamanipour, Zahra;Salahinejad, Erfan;Norouzzadeh, Payam;Krasinski, Jerzy S.;Tayebi, Lobat;Vashaee, Daryoosh;
19:38:6     Electrical and thermoelectric properties of single-wall carbon nanotube doped Bi2Te3
DOI:10.1063/1.4737898  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:11  AU: Zhang, Y.;Wang, X. L.;Yeoh, W. K.;Zheng, R. K.;Zhang, C.;
19:38:7     Detrimental influence of nanostructuring on the thermoelectric properties of magnesium silicide
DOI:10.1063/1.4764872  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:10  AU: Satyala, Nikhil;Vashaee, Daryoosh;
19:38:8     Influence of Nanoinclusions on Thermoelectric Properties of n-Type Bi2Te3 Nanocomposites
DOI:10.1007/s11664-010-1487-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:15  AU: Fan, Shufen;Zhao, Junnan;Yan, Qingyu;Ma, Jan;Hng, Huey Hoon;
19:38:9     Effect of Chromium Doping on the Thermoelectric Properties of Bi2Te3: Cr (x) Bi2Te3 and Cr (x) Bi2-x Te-3
DOI:10.1007/s11664-013-2670-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Han, Mi-Kyung;Ryu, Hyein;Kim, Sung-Jin;
19:38:10     Design optimization of micro-fabricated thermoelectric devices for solar power generation
DOI:10.1016/j.renene.2014.02.055  JN:RENEWABLE ENERGY  PY:2014
  TC:4  AU: Tayebi, Lobat;Zamanipour, Zahra;Vashaee, Daryoosh;
19:38:11     Thermoelectric properties of WSi2-SixGe1-x composites
DOI:10.1016/j.jallcom.2014.03.133  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Dynys, F. W.;Sayir, A.;Mackey, J.;Sehirlioglu, A.;
19:38:12     Comparison of boron precipitation in p-type bulk nanostructured and polycrystalline silicon germanium alloy
DOI:10.1063/1.4801388  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:5  AU: Zamanipour, Zahra;Krasinski, Jerzy S.;Vashaee, Daryoosh;
19:38:13     Enhancement of thermoelectric power factor of silicon germanium films grown by electrophoresis deposition
DOI:10.1016/j.scriptamat.2013.06.025  JN:SCRIPTA MATERIALIA  PY:2013
  TC:7  AU: Nozariasbmarz, Amin;Rad, Armin Tahmasbi;Zamanipour, Zahra;Krasinski, Jerzy S.;Tayebi, Lobat;Vashaee, Daryoosh;
19:38:14     Synthesis of alumina nanoparticle-embedded-bismuth telluride matrix thermoelectric composite powders
DOI:10.1016/j.matlet.2012.05.053  JN:MATERIALS LETTERS  PY:2012
  TC:9  AU: Kim, Kyung Tae;Koo, Hye Young;Lee, Gil-Geun;Ha, Gook Hyun;
19:38:15     Coherent Interfaces between Crystals in Nanocrystal Composites
DOI:10.1021/nn101708q  JN:ACS NANO  PY:2010
  TC:23  AU: Liu, Hongwei;Zheng, Zhanfeng;Yang, Dongjiang;Ke, Xuebin;Jaatinen, Esa;Zhao, Jin-Cai;Zhu, Huai Yong;
19:38:16     An Investigation of Electrical Contacts for Higher Manganese Silicide
DOI:10.1007/s11664-012-2149-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Shi, Xinghua;Zamanipour, Zahra;Krasinski, Jerzy S.;Tree, Alan;Vashaee, Daryoosh;
19:38:17     Fabrication of Metal Alloy-Deposited Flexible MWCNT Buckypaper for Thermoelectric Applications
DOI:10.1155/2013/635647  JN:JOURNAL OF NANOMATERIALS  PY:2013
  TC:3  AU: Liu, Jih-Hsin;Miao, Hsin-Yuan;Lakshmanan, Saravanan;Wang, Li-Chih;Tsai, Ren-Hui;
19:38:18     Fabrication and Enhanced Thermoelectric Properties of Alumina Nanoparticle-Dispersed Bi0.5Sb1.5Te3 Matrix Composites
DOI:10.1155/2013/821657  JN:JOURNAL OF NANOMATERIALS  PY:2013
  TC:1  AU: Kim, Kyung Tae;Ha, Gook Hyun;
19:38:19     Nucleation and growth of fluoride crystals by agglomeration of the nanoparticles
DOI:10.1010/j.jcrysgro.2013.12.069  JN:JOURNAL OF CRYSTAL GROWTH  PY:2014
  TC:3  AU: Fedorov, P. P.;Osiko, V. V.;Kuznetsov, S. V.;Uvarov, O. V.;Mayakova, M. N.;Yasirkina, D. S.;Ovsyannikova, A. A.;Voronov, V. V.;Ivanov, V. K.;
19:38:20     Enhanced electrical conductivity in Si80Ge20B0.6 alloys with Er addition prepared by spark plasma sintering
DOI:10.1557/jmr.2011.127  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:2  AU: Zhao, Ran;Shen, Li;Guo, Fu;
19:38:21     Electrical and thermoelectric properties of single-wall carbon nanotube doped Bi2Te3 (vol 101, 031909, 2012)
DOI:10.1063/1.4775732  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Zhang, Y.;Wang, X. L.;Yeoh, W. K.;Zheng, R. K.;Zhang, C.;
19:38:22     Design, Modeling, Fabrication, and Evaluation of Thermoelectric Generators with Hot-Wire Chemical Vapor Deposited Polysilicon as Thermoelement Material
DOI:10.1007/s11664-014-3352-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Theresa de Leon, Maria;Tarazona, Antulio;Chong, Harold;Kraft, Michael;
19:38:23     Annealing Effect on the Thermoelectric Properties of Bi2Te3 Thin Films Prepared by Thermal Evaporation Method
DOI:10.1155/2013/201017  JN:JOURNAL OF NANOMATERIALS  PY:2013
  TC:1  AU: Lin, Jyun-Min;Chen, Ying-Chung;Lin, Chi-Pi;
19:39:1     Structural Order-Disorder Transitions and Phonon Conductivity of Partially Filled Skutterudites
DOI:10.1103/PhysRevLett.105.265901  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:19  AU: Kim, Hyoungchul;Kaviany, Massoud;Thomas, John C.;Van der Ven, Anton;Uher, Ctirad;Huang, Baoling;
19:39:2     Effects of filling in CoSb3: Local structure, band gap, and phonons from first principles
DOI:10.1103/PhysRevB.81.045204  JN:PHYSICAL REVIEW B  PY:2010
  TC:19  AU: Wee, Daehyun;Kozinsky, Boris;Marzari, Nicola;Fornari, Marco;
19:39:3     Vibrational dynamics of filled skutterudites M1-xFe4Sb12 (M = Ca, Sr, Ba, and Yb)
DOI:10.1103/PhysRevB.81.174302  JN:PHYSICAL REVIEW B  PY:2010
  TC:19  AU: Koza, Michael Marek;Capogna, Lucia;Leithe-Jasper, Andreas;Rosner, Helge;Schnelle, Walter;Mutka, Hannu;Johnson, Mark Robert;Ritter, Clemens;Grin, Yuri;
19:39:4     Lattice thermal conductivity of filled skutterudites: An anharmonicity perspective
DOI:10.1063/1.4898686  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Geng, Huiyuan;Meng, Xianfu;Zhang, Hao;Zhang, Jian;
19:39:5     Calculations of dynamical properties of skutterudites: Thermal conductivity, thermal expansivity, and atomic mean-square displacement
DOI:10.1103/PhysRevB.81.134301  JN:PHYSICAL REVIEW B  PY:2010
  TC:14  AU: Bernstein, N.;Feldman, J. L.;Singh, D. J.;
19:39:6     Vibrational dynamics of the filled skutterudites M1-xFe4Sb12 (M = Ca, Sr, Ba, and Yb): Temperature response, dispersion relation, and material properties
DOI:10.1103/PhysRevB.84.014306  JN:PHYSICAL REVIEW B  PY:2011
  TC:6  AU: Koza, Michael Marek;Leithe-Jasper, Andreas;Rosner, Helge;Schnelle, Walter;Mutka, Hannu;Johnson, Mark Robert;Krisch, Michael;Capogna, Lucia;Grin, Yuri;
19:39:7     Vibrational dynamics of the type-I clathrate Ba8ZnxGe46-x-y square(y) (x=0,2,4,6,8)
DOI:10.1103/PhysRevB.82.214301  JN:PHYSICAL REVIEW B  PY:2010
  TC:10  AU: Koza, M. M.;Johnson, M. R.;Mutka, H.;Rotter, M.;Nasir, N.;Grytsiv, A.;Rogl, P.;
19:39:8     Effect of filler mass and binding on thermal conductivity of fully filled skutterudites
DOI:10.1103/PhysRevB.82.195207  JN:PHYSICAL REVIEW B  PY:2010
  TC:7  AU: Zebarjadi, Mona;Esfarjani, Keivan;Yang, Jian;Ren, Z. F.;Chen, Gang;
19:39:9     Electronic, vibrational, and transport properties of pnictogen-substituted ternary skutterudites
DOI:10.1103/PhysRevB.85.245211  JN:PHYSICAL REVIEW B  PY:2012
  TC:6  AU: Volja, Dmitri;Kozinsky, Boris;Li, An;Wee, Daehyun;Marzari, Nicola;Fornari, Marco;
19:39:10     Vibrational dynamics of the filled skutterudite Yb1-xFe4Sb12: Debye-Waller factor, generalized density of states, and elastic structure factor
DOI:10.1103/PhysRevB.89.014302  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Koza, Michael Marek;Leithe-Jasper, Andreas;Rosner, Helge;Schnelle, Walter;Mutka, Hannu;Johnson, Mark Robert;Grin, Yuri;
19:39:11     Filler-reduced phonon conductivity of thermoelectric skutterudites: Ab initio calculations and molecular dynamics simulations
DOI:10.1016/j.actamat.2010.05.002  JN:ACTA MATERIALIA  PY:2010
  TC:20  AU: Huang, Baoling;Kaviany, Massoud;
19:39:12     Strong coupling superconductivity mediated by three-dimensional anharmonic phonons
DOI:10.1103/PhysRevB.81.134503  JN:PHYSICAL REVIEW B  PY:2010
  TC:21  AU: Hattori, K.;Tsunetsugu, H.;
19:39:13     Lattice-dynamical model for the filled skutterudite LaFe4Sb12: Harmonic and anharmonic couplings
DOI:10.1103/PhysRevB.89.224304  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Feldman, J. L.;Singh, D. J.;Bernstein, N.;
19:39:14     Eu2+ spin dynamics in the filled skutterudites EuM4Sb12 (M = Fe, Ru, Os)
DOI:10.1103/PhysRevB.84.014420  JN:PHYSICAL REVIEW B  PY:2011
  TC:3  AU: Garcia, F. A.;Adriano, C.;Cabrera, G. G.;Holanda, L. M.;Pagliuso, P. G.;Avila, M. A.;Oseroff, S. B.;Rettori, C.;
19:39:15     Lattice dynamics and anomalous softening in the YbFe4Sb12 skutterudite
DOI:10.1103/PhysRevB.84.184306  JN:PHYSICAL REVIEW B  PY:2011
  TC:2  AU: Moechel, A.;Sergueev, I.;Wille, H. -C.;Voigt, J.;Prager, M.;Stone, M. B.;Sales, B. C.;Guguchia, Z.;Shengelaya, A.;Keppens, V.;Hermann, R. P.;
19:39:16     Spin dynamics of S-state ions in the filled skutterudites La1-xRxPt4Ge12 (R = Gd, Eu)
DOI:10.1103/PhysRevB.85.134402  JN:PHYSICAL REVIEW B  PY:2012
  TC:1  AU: Garcia, F. A.;Gumeniuk, R.;Schnelle, W.;Sichelschmidt, J.;Leithe-Jasper, A.;Grin, Yu.;Steglich, F.;
19:39:17     Transport properties of partially filled skutterudite derivatives Ce0.13Co4Ge6Se6 and Yb0.14Co4Ge6Se6
DOI:10.1103/PhysRevB.87.195203  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Dong, Yongkwan;Wei, Kaya;Nolas, George S.;
19:39:18     Synthesis, crystal structure, and transport properties of Fe substituted rhombohedral skutterudite derivatives Co4-xFexGe6Se6
DOI:10.1016/j.jallcom.2014.06.120  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Wei, Kaya;Dong, Yongkwan;Puneet, Pooja;Tritt, Terry M.;Nolas, George S.;
19:39:19     Quasiharmonic Vibrational Properties of TiNiSn from Ab Initio Phonons
DOI:10.1007/s11664-011-1833-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:8  AU: Wee, Daehyun;Kozinsky, Boris;Pavan, Barbara;Fornari, Marco;
19:39:20     Resonant Oscillations in Multiple-Filled Skutterudites
DOI:10.1007/s11664-013-2487-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Guo, L.;Xu, X.;Salvador, J. R.;Meisner, G. P.;
19:39:21     Nonadiabatic effects of rattling phonons and 4f excitations in Pr(Os1-xRux)(4)Sb-12
DOI:10.1103/PhysRevB.81.224305  JN:PHYSICAL REVIEW B  PY:2010
  TC:5  AU: Thalmeier, Peter;
19:39:22     Anharmonic effects in the mixed 4f -electron lattice excitations of Pr skutterudites
DOI:10.1103/PhysRevB.83.195124  JN:PHYSICAL REVIEW B  PY:2011
  TC:0  AU: Thalmeier, Peter;
19:39:23     Thermoelectric Properties of Co4Sn6Se6 Ternary Skutterudites
DOI:10.1007/s11664-009-1067-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:4  AU: Navratil, J.;Plechacek, T.;Benes, L.;Drasar, C.;Laufek, F.;
19:39:24     Effect of Rh Substitution for Co on the Thermoelectric Properties of CoSb3
DOI:10.2320/matertrans.E-M2010808  JN:MATERIALS TRANSACTIONS  PY:2010
  TC:2  AU: Harnwunggmoung, Adul;Kurosaki, Ken;Charoenphakdee, Anek;Yusufu, Aikebaier;Muta, Hiroaki;Yamanaka, Shinsuke;
19:39:25     Influence of pressure and transition metal (T=Fe,Co) on the lanthanum bare frequency in LaT4Sb12
DOI:10.1103/PhysRevB.81.104112  JN:PHYSICAL REVIEW B  PY:2010
  TC:2  AU: Martinotto, A. L.;Gava, V.;Perottoni, C. A.;
19:39:26     Antimony-Based Compounds with the Anti-Th3P4 Structure as Potential High-Temperature Thermoelectric Materials
DOI:10.1007/s11664-011-1564-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:1  AU: Chamoire, A.;Viennois, R.;Tedenac, J-C;Koza, M. M.;Gascoin, F.;
19:39:27     Toward a mechanism of rattler coupling in the beta-pyrochlores AOs(2)O(6) (A = K, Rb, Cs)
DOI:10.1007/s10853-014-8260-x  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:0  AU: Shoko, Elvis;Peterson, Vanessa K.;Kearley, Gordon J.;
19:40:1:1     Thermal expansion of thermoelectric type-I-clathrates
DOI:10.1063/1.3465637  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:20  AU: Falmbigl, M.;Rogl, G.;Rogl, P.;Kriegisch, M.;Mueller, H.;Bauer, E.;Reinecker, M.;Schranz, W.;
19:40:1:2     High temperature thermoelectric properties of the type-I clathrate Ba8AuxSi46-x
DOI:10.1063/1.3682585  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:11  AU: Candolfi, C.;Aydemir, U.;Baitinger, M.;Oeschler, N.;Steglich, F.;Grin, Yu;
19:40:1:3     Low-temperature thermoelectric, galvanomagnetic, and thermodynamic properties of the type-I clathrate Ba8AuxSi46-x
DOI:10.1103/PhysRevB.84.195137  JN:PHYSICAL REVIEW B  PY:2011
  TC:7  AU: Aydemir, U.;Candolfi, C.;Ormeci, A.;Oztan, Y.;Baitinger, M.;Oeschler, N.;Steglich, F.;Grin, Yu.;
19:40:1:4     Thermopower enhancement by encapsulating cerium in clathrate cages
DOI:10.1038/NMAT3756  JN:NATURE MATERIALS  PY:2013
  TC:13  AU: Prokofiev, A.;Sidorenko, A.;Hradil, K.;Ikeda, M.;Svagera, R.;Waas, M.;Winkler, H.;Neumaier, K.;Paschen, S.;
19:40:1:5     Electronic Band-Structure Calculations of Ba8Me (x) Si46-x Clathrates with Me = Mg, Pd, Ni, Au, Ag, Cu, Zn, Al, Sn
DOI:10.1007/s11664-013-2770-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Wunderlich, Wilfried;Amano, Mao;Matsumura, Yoshihito;
19:40:1:6     Phase equilibria, crystal chemistry, electronic structure and physical properties of Ag-Ba-Ge clathrates
DOI:10.1016/j.actamat.2010.12.033  JN:ACTA MATERIALIA  PY:2011
  TC:18  AU: Zeiringer, I.;Chen, MingXing;Bednar, I.;Royanian, E.;Bauer, E.;Podloucky, R.;Grytsiv, A.;Rogl, P.;Effenberger, H.;
19:40:1:7     The ternary system Au-Ba-Si: Clathrate solution, electronic structure, physical properties, phase equilibria and crystal structures
DOI:10.1016/j.actamat.2011.12.040  JN:ACTA MATERIALIA  PY:2012
  TC:10  AU: Zeiringer, I.;Chen, MingXing;Grytsiv, A.;Bauer, E.;Podloucky, R.;Effenberger, H.;Rogl, P.;
19:40:1:8     Reinvestigation of Thermoelectric Properties of n- and p-Type Ba8-d Au (x) Si46-x-y Clathrate
DOI:10.1007/s11664-014-3118-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Munetoh, Shinji;Saisho, Makoto;Oka, Takuya;Osada, Toshiko;Miura, Hideshi;Furukimi, Osamu;
19:40:1:9     Electronic thermal conductivity as derived by density functional theory
DOI:10.1103/PhysRevB.88.045134  JN:PHYSICAL REVIEW B  PY:2013
  TC:0  AU: Chen, M. X.;Podloucky, R.;
19:40:1:10     Single crystallization of Ba8AlxSi46-x clathrate for improvement of thermoelectric properties
DOI:10.1557/jmr.2011.193  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:3  AU: Mugit, Naoki;Nakakohara, Yusuke;Teranishi, Ryo;Munetoh, Shinji;
19:40:1:11     Electric Dipolar Kondo Effect Emerging from a Vibrating Magnetic Ion
DOI:10.1103/PhysRevLett.108.247214  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:5  AU: Hotta, Takashi;Ueda, Kazuo;
19:40:2:1     On the Design of High-Efficiency Thermoelectric Clathrates through a Systematic Cross-Substitution of Framework Elements
DOI:10.1002/adfm.200901817  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2010
  TC:62  AU: Shi, Xun;Yang, Jiong;Bai, Shengqiang;Yang, Jihui;Wang, Hsin;Chi, Miaofang;Salvador, James R.;Zhang, Wenqing;Chen, Lidong;Wong-Ng, Winnie;
19:40:2:2     Tuning of band gap and thermoelectric properties of type-I clathrate Ba8NixZnyGe46-x-y-zSnz
DOI:10.1016/j.jallcom.2013.03.074  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:3  AU: Falmbigl, M.;Grytsiv, A.;Rogl, P.;Heinrich, P.;Royanian, E.;Bauer, E.;
19:40:2:3     Development and Applications of Non-destructive Screening Tools for Thermoelectric Materials at NIST
DOI:10.1080/00150193.2014.923725  JN:FERROELECTRICS  PY:2014
  TC:0  AU: Wong-Ng, W.;Yan, Y.;Martin, J.;Otani, M.;Thomas, E. L.;Tang, X. F.;Green, M. L.;
19:40:2:4     Crystal structure and thermoelectric properties of KxBa8-xZnyGe46-y clathrates
DOI:10.1063/1.4711100  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Kishimoto, Kengo;Sasaki, Yuta;Koyanagi, Tsuyoshi;Ohoyama, Kenji;Akai, Koji;
19:40:3:1     Low-temperature heat capacity of Sr8Ga16Ge30 and Ba8Ga16Ge30: Tunneling states and electron-phonon interaction in clathrates
DOI:10.1103/PhysRevB.82.085206  JN:PHYSICAL REVIEW B  PY:2010
  TC:13  AU: Xu, Jingtao;Tang, Jun;Sato, Kazumi;Tanabe, Yoichi;Miyasaka, Hitoshi;Yamashita, Masahiro;Heguri, Satoshi;Tanigaki, Katsumi;
19:40:3:2     Low-temperature magnetic, galvanomagnetic, and thermoelectric properties of the type-I clathrates Ba8NixSi46-x
DOI:10.1103/PhysRevB.83.205102  JN:PHYSICAL REVIEW B  PY:2011
  TC:10  AU: Candolfi, C.;Aydemir, U.;Ormeci, A.;Baitinger, M.;Oeschler, N.;Steglich, F.;Grin, Yu.;
19:40:3:3     Low-Temperature Physical and Thermoelectric Properties of Ba8Ni5Ge41
DOI:10.1007/s11664-013-2509-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Xu, Jingtao;Wu, Jiazhen;Tanabe, Yoichi;Heguri, Satoshi;Mu, Gang;Shimotani, Hidekazu;Tanigaki, Katsumi;
19:40:3:4     Low-Temperature Physical Properties of Ba(8)NixGe(46-x) (x=3,4,6)
DOI:10.1007/s11664-011-1898-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Xu, Jingtao;Wu, Jiazhen;Heguri, Satoshi;Mu, Gang;Tanabe, Yoichi;Tanigaki, Katsumi;
19:40:3:5     Heat Capacity Study on Anharmonicity in Ae(8)Ga(16)Ge(30) (Ae = Sr and Ba)
DOI:10.1007/s11664-011-1607-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:4  AU: Xu, Jingtao;Tang, Jun;Sato, Kazumi;Tanabe, Yoichi;Heguri, Satoshi;Miyasaka, Hitoshi;Yamashita, Masahiro;Tanigaki, Katsumi;
19:40:4:1     Thermoelectric properties of Ba-Cu-Si clathrates
DOI:10.1103/PhysRevB.85.165127  JN:PHYSICAL REVIEW B  PY:2012
  TC:4  AU: Yan, X.;Chen, M. X.;Laumann, S.;Bauer, E.;Rogl, P.;Podloucky, R.;Paschen, S.;
19:40:4:2     Structural and thermoelectric properties of Ba8Cu5SixGe41-x clathrates
DOI:10.1103/PhysRevB.87.115206  JN:PHYSICAL REVIEW B  PY:2013
  TC:2  AU: Yan, X.;Bauer, E.;Rogl, P.;Paschen, S.;
19:40:4:3     Single-Crystal Investigations on Quaternary Clathrates Ba8Cu5SixGe41-x (x = 6, 18, 41)
DOI:10.1007/s11664-010-1464-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:7  AU: Yan, X.;Grytsiv, A.;Giester, G.;Bauer, E.;Rogl, P.;Paschen, S.;
19:40:4:4     Ba-Cu-Si Clathrates: Phase Equilibria and Crystal Chemistry
DOI:10.1007/s11664-010-1253-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:13  AU: Yan, X.;Giester, G.;Bauer, E.;Rogl, P.;Paschen, S.;
19:40:4:5     Structural and Thermoelectric Properties of Ba8Cu Si23- Ge-23 (4.5 a parts per thousand currency sign a parts per thousand currency sign 7)
DOI:10.1007/s11664-011-1897-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Yan, X.;Falmbigl, M.;Laumann, S.;Grytsiv, A.;Bauer, E.;Rogl, P.;Paschen, S.;
19:40:5:1     Multiband conduction in the type-I clathrate Ba8Ge43 square(3)
DOI:10.1103/PhysRevB.84.205118  JN:PHYSICAL REVIEW B  PY:2011
  TC:1  AU: Candolfi, C.;Ormeci, A.;Aydemir, U.;Baitinger, M.;Oeschler, N.;Grin, Yu.;Steglich, F.;
19:40:5:2     Transport properties of the clathrate BaGe5
DOI:10.1063/1.3625233  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:3  AU: Candolfi, C.;Aydemir, U.;Ormeci, A.;Carrillo-Cabrera, W.;Burkhardt, U.;Baitinger, M.;Oeschler, N.;Steglich, F.;Grin, Yu;
19:40:5:3     Thermoelectric Properties of the Clathrate I Ba8Ge43 square(3)
DOI:10.1007/s11664-009-1011-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:8  AU: Candolfi, C.;Aydemir, U.;Baitinger, M.;Oeschler, N.;Steglich, F.;Grin, Yu;
19:40:5:4     BaGe5: A New Type of Intermetallic Clathrate
DOI:10.1021/ja104197c  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2010
  TC:18  AU: Aydemir, Umut;Akselrud, Lev;Carrillo-Cabrera, Wilder;Candolfi, Christophe;Oeschler, Niels;Baitinger, Michael;Steglich, Frank;Grin, Yuri;
19:40:5:5     Zintl behavior and vacancy formation in type-I Ba-Al-Ge clathrates
DOI:10.1103/PhysRevB.82.064111  JN:PHYSICAL REVIEW B  PY:2010
  TC:4  AU: Rodriguez, Sergio Y.;Saribaev, Laziz;Ross, Joseph H., Jr.;
19:40:6:1     The system Ba-Zn-Sn at 500 degrees C: Phase equilibria, crystal and electronic structure of ternary phases
DOI:10.1016/j.jallcom.2013.09.041  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Romaka, V. V.;Falmbigl, M.;Grytsiv, A.;Rogl, P.;
19:40:6:2     Physical Properties of Single-Crystalline Ba(8)Ni(3.5)Ge(42.1)a-(0.4)
DOI:10.1007/s11664-010-1312-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:6  AU: Nguyen, L. T. K.;Aydemir, U.;Baitinger, M.;Custers, J.;Haghighirad, A.;Hoefler, R.;Luther, K. D.;Ritter, F.;Grin, Yu.;Assmus, W.;Paschen, S.;
19:40:6:3     The V-Cu-Sb ternary system at 773 K: Crystal, band structure, and physical properties
DOI:10.1016/j.jallcom.2013.11.150  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Konyk, M.;Romaka, L.;Demchenko, P.;Romaka, V. V.;Stadnyk, Yu.;Horyn, A.;
19:40:7:1     Energetic Stability and Thermoelectric Property of Alkali-Metal-Encapsulated Type-I Silicon-Clathrate from First-Principles Calculation
DOI:10.2320/matertrans.MBW201204  JN:MATERIALS TRANSACTIONS  PY:2013
  TC:6  AU: Nakamura, Kaoru;Yamada, Susumu;Ohnuma, Toshiharu;
19:40:7:2     Chemical trends of the band gaps of idealized crystal of semiconducting silicon clathrates, M(8)Si(38)A(8) (M = Na, K, Rb, Cs; A = Ga, Al, In), predicted by first-principle pseudopotential calculations
DOI:10.1016/j.jallcom.2010.12.171  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:5  AU: Imai, Yoji;Imai, Motoharu;
19:41:1     Thermal transport in organic semiconducting polymers
DOI:10.1063/1.4812234  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:9  AU: Duda, John C.;Hopkins, Patrick E.;Shen, Yang;Gupta, Mool C.;
19:41:2     Spatial nonuniformity in heat transport across hybrid material interfaces
DOI:10.1103/PhysRevB.90.054306  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Jin, Yansha;Shao, Chen;Kieffer, John;Falk, Michael L.;Shtein, Max;
19:41:3     Improving thermoelectric efficiency in organic-metal nanocomposites via extra-low thermal boundary conductance
DOI:10.1063/1.4828882  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Jin, Yansha;Nola, Sam;Pipe, Kevin P.;Shtein, Max;
19:41:4     Ultralow Thermal Conductivity of Multilayers with Highly Dissimilar Debye Temperatures
DOI:10.1021/nl500127c  JN:NANO LETTERS  PY:2014
  TC:7  AU: Dechaumphai, Edward;Lu, Dylan;Kan, Jimmy J.;Moon, Jaeyun;Fullerton, Eric E.;Liu, Zhaowei;Chen, Renkun;
19:41:5     Interfacial thermal conductance in spun-cast polymer films and polymer brushes
DOI:10.1063/1.3458802  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:21  AU: Losego, Mark D.;Moh, Lionel;Arpin, Kevin A.;Cahill, David G.;Braun, Paul V.;
19:41:6     Ultralow Thermal Conductivity of Atomic/Molecular Layer-Deposited Hybrid Organic-Inorganic Zincone Thin Films
DOI:10.1021/nl403244s  JN:NANO LETTERS  PY:2013
  TC:11  AU: Liu, Jun;Yoon, Byunghoon;Kuhlmann, Eli;Tian, Miao;Zhu, Jie;George, Steven M.;Lee, Yung-Cheng;Yang, Ronggui;
19:41:7     Testing the minimum thermal conductivity model for amorphous polymers using high pressure
DOI:10.1103/PhysRevB.83.174205  JN:PHYSICAL REVIEW B  PY:2011
  TC:14  AU: Hsieh, Wen-Pin;Losego, Mark D.;Braun, Paul V.;Shenogin, Sergei;Keblinski, Pawel;Cahill, David G.;
19:41:8     Exceptionally Low Thermal Conductivities of Films of the Fullerene Derivative PCBM
DOI:10.1103/PhysRevLett.110.015902  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:8  AU: Duda, John C.;Hopkins, Patrick E.;Shen, Yang;Gupta, Mool C.;
19:41:9     Bulk and contact resistance in P3HT:PCBM heterojunction solar cells
DOI:10.1016/j.solmat.2011.03.046  JN:SOLAR ENERGY MATERIALS AND SOLAR CELLS  PY:2011
  TC:18  AU: Shen, Yang;Li, Kejia;Majumdar, Nabanita;Campbell, Joe C.;Gupta, Mool C.;
19:41:10     Ultralow thermal conductivity of fullerene derivatives
DOI:10.1103/PhysRevB.88.075310  JN:PHYSICAL REVIEW B  PY:2013
  TC:3  AU: Wang, Xiaojia;Liman, Christopher D.;Treat, Neil D.;Chabinyc, Michael L.;Cahill, David G.;
19:41:11     Origins of thermal boundary conductance of interfaces involving organic semiconductors
DOI:10.1063/1.4759286  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:5  AU: Jin, Yansha;Shao, Chen;Kieffer, John;Pipe, Kevin P.;Shtein, Max;
19:41:12     Thermal conduction properties of Mo/Si multilayers for extreme ultraviolet optics
DOI:10.1063/1.4759450  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:7  AU: Bozorg-Grayeli, Elah;Li, Zijian;Asheghi, Mehdi;Delgado, Gil;Pokrovsky, Alexander;Panzer, Matthew;Wack, Daniel;Goodson, Kenneth E.;
19:41:13     Thermal boundary resistance of copper phthalocyanine-metal interface
DOI:10.1063/1.3555449  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:14  AU: Jin, Y.;Yadav, A.;Sun, K.;Sun, H.;Pipe, K. P.;Shtein, M.;
19:41:14     Size effect on the thermal conductivity of ultrathin polystyrene films
DOI:10.1063/1.4871737  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:2  AU: Liu, Jun;Ju, Shenghong;Ding, Yifu;Yang, Ronggui;
19:41:15     Ultrafast thermoreflectance techniques for measuring thermal conductivity and interface thermal conductance of thin films
DOI:10.1063/1.3504213  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:22  AU: Zhu, Jie;Tang, Dawei;Wang, Wei;Liu, Jun;Holub, Kristopher W.;Yang, Ronggui;
19:41:16     Phonon Dominated Heat Conduction Normal to Mo/Si Multilayers with Period below 10 nm
DOI:10.1021/nl300996r  JN:NANO LETTERS  PY:2012
  TC:15  AU: Li, Zijian;Tan, Si;Bozorg-Grayeli, Elah;Kodama, Takashi;Asheghi, Mehdi;Delgado, Gil;Panzer, Matthew;Pokrovsky, Alexander;Wack, Daniel;Goodson, Kenneth E.;
19:41:17     Ultralow Thermal Conductivity in Organoclay Nanolaminates Synthesized via Simple Self-Assembly
DOI:10.1021/nl4007326  JN:NANO LETTERS  PY:2013
  TC:10  AU: Losego, Mark D.;Blitz, Ian P.;Vaia, Richard A.;Cahill, David G.;Braun, Paul V.;
19:41:18     Detailed consideration of the electron-phonon thermal conductance at metal-dielectric interfaces
DOI:10.1063/1.4804383  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:7  AU: Singh, Piyush;Seong, Myunghoon;Sinha, Sanjiv;
19:41:19     Thermal analysis of high intensity organic light-emitting diodes based on a transmission matrix approach
DOI:10.1063/1.3671067  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:8  AU: Qi, Xiangfei;Forrest, Stephen R.;
19:41:20     Spatiotemporally separating electron and phonon thermal transport in L1(0) FePt films for heat assisted magnetic recording
DOI:10.1063/1.4885428  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Xu, D. B.;Sun, C. J.;Brewe, D. L.;Han, S. -W.;Ho, P.;Chen, J. S.;Heald, S. M.;Zhang, X. Y.;Chow, G. M.;
19:41:21     Tailoring magnetocrystalline anisotropy of FePt by external strain
DOI:10.1063/1.3673853  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:6  AU: Lukashev, Pavel V.;Horrell, Nathan;Sabirianov, Renat F.;
19:41:22     Electrical properties of PET-MWCNT/MEH-PPV/Al organic device
DOI:10.1016/j.mssp.2014.06.044  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2014
  TC:0  AU: Aloui, Walid;Ltaief, Adnen;Bouazizi, Abdelaziz;
19:41:23     High temperature thermal properties of thin tantalum nitride films
DOI:10.1063/1.3672098  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:3  AU: Bozorg-Grayeli, Elah;Li, Zijian;Asheghi, Mehdi;Delgado, Gil;Pokrovsky, Alexander;Panzer, Matthew;Wack, Daniel;Goodson, Kenneth E.;
19:41:24     Optimization of the thermoelectric figure of merit in the conducting polymer poly(3,4-ethylenedioxythiophene)
DOI:10.1038/NMAT3012  JN:NATURE MATERIALS  PY:2011
  TC:237  AU: Bubnova, Olga;Khan, Zia Ullah;Malti, Abdellah;Braun, Slawomir;Fahlman, Mats;Berggren, Magnus;Crispin, Xavier;
19:42:1     First-principles study of type-I and type-VIII Ba8Ga16Sn30 clathrates
DOI:10.1063/1.3437252  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:30  AU: Kono, Yasushi;Ohya, Nobuyuki;Taguchi, Takashi;Suekuni, Koichiro;Takabatake, Toshiro;Yamamoto, Setsuo;Akai, Koji;
19:42:2     High thermoelectric performance of Cu substituted type-VIII clathrate Ba(8)Ga(16-x)Cu(x)Sn(30) single crystals
DOI:10.1063/1.3583570  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:27  AU: Deng, Shukang;Saiga, Yuta;Kajisa, Kousuke;Takabatake, Toshiro;
19:42:3     Enhancement of thermoelectric efficiency in type-VIII clathrate Ba8Ga16Sn30 by Al substitution for Ga
DOI:10.1063/1.3490776  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:23  AU: Deng, Shukang;Saiga, Yuta;Suekuni, Koichiro;Takabatake, Toshiro;
19:42:4     Optimization of thermoelectric properties of type-VIII clathrate Ba8Ga16Sn30 by carrier tuning
DOI:10.1016/j.jallcom.2010.07.121  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:22  AU: Saiga, Y.;Suekuni, K.;Deng, S. K.;Yamamoto, T.;Kono, Y.;Ohya, N.;Takabatake, T.;
19:42:5     Electronic, elastic, vibrational, and thermodynamic properties of type-VIII clathrates Ba8Ga16Sn30 and Ba8Al16Sn30 by first principles
DOI:10.1063/1.4826213  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Norouzzadeh, Payam;Myles, Charles W.;Vashaee, Daryoosh;
19:42:6     Effects of In Substitution for Ga on the Thermoelectric Properties of Type-VIII Clathrate Ba8Ga16Sn30 Single Crystals
DOI:10.1007/s11664-013-2909-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Chen, Yuexing;Du, Baoli;Kajisa, Kousuke;Takabatake, Toshiro;
19:42:7     Thermoelectric properties of type-VIII clathrate Ba8Ga16Sn30 doped with Cu
DOI:10.1016/j.jallcom.2012.05.049  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:18  AU: Saiga, Y.;Du, B.;Deng, S. K.;Kajisa, K.;Takabatake, T.;
19:42:8     Vertical Bridgman growth of thermoelectric clathrate Ba8Ga16Sn30 with a type-VIII structure
DOI:10.1016/j.jcrysgro.2014.06.035  JN:JOURNAL OF CRYSTAL GROWTH  PY:2014
  TC:1  AU: Chen, Y. X.;Niitani, K.;Izumi, J.;Suekuni, K.;Takabatake, T.;
19:42:9     Crystallographic, thermoelectric, and mechanical properties of polycrystalline type-I Ba8Al16Si30-based clathrates
DOI:10.1007/s10853-012-6977-y  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:16  AU: Anno, Hiroaki;Hokazono, Masahiro;Shirataki, Ritsuko;Nagami, Yuko;
19:42:10     Thermoelectric performance of Zn-substituted type-VIII clathrate Ba8Ga16Sn30 single crystals
DOI:10.1063/1.3673863  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:7  AU: Du, Baoli;Saiga, Yuta;Kajisa, Kousuke;Takabatake, Toshiro;
19:42:11     Thermoelectric and transport properties of sintered n-type K8Ba16Ga40Sn96 with type-II clathrate structure
DOI:10.1063/1.4889822  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Koda, Shota;Kishimoto, Kengo;Akai, Koji;Asada, Hironori;Koyanagi, Tsuyoshi;
19:42:12     Electronic Structures and Thermoelectric Properties of Sb-Doped Type-VIII Clathrate Ba8Ga16Sn30
DOI:10.2320/matertrans.E-M2012807  JN:MATERIALS TRANSACTIONS  PY:2012
  TC:2  AU: Kono, Yasushi;Akai, Koji;Ohya, Nobuyuki;Saiga, Yuhta;Suekuni, Koichiro;Takabatake, Toshiro;Yamamoto, Setsuo;
19:42:13     Synthesis and thermoelectric properties of rare earth Yb-doped Ba8-xYbxSi30Ga16 clathrates
DOI:10.1016/j.jallcom.2013.10.219  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Liu, Lihua;Li, Feng;Wei, Yuping;Chen, Ning;Bi, Shanli;Qiu, Hongmei;Cao, Guohui;Li, Yang;
19:42:14     Effect of Heat Treatment in Air on the Surface of a Sintered Ba8Al16Si30-Based Clathrate
DOI:10.1007/s11664-013-2887-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Anno, Hiroaki;Shirataki, Ritsuko;
19:42:15     The Effect of Furnace Temperature on Evolution of the Microstructure of Type-VIII Clathrate Ba8Ga16Sn30 Polycrystals Grown from Ba8Ga16Sn50 Solutions
DOI:10.1007/s11664-013-2892-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Hong, Qin-Gang;Chang, Li-Shin;Hsieh, Huey-Lin;
19:42:16     First-Principles Study of Electronic Structure and Thermoelectric Properties of Ge-Doped Tin Clathrates
DOI:10.1007/s11664-013-2963-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Akai, K.;Kishimoto, K.;Koyanagi, T.;Kono, Y.;Yamamoto, S.;
19:42:17     Carrier Doping in the Type VIII Clathrate Ba8Ga16Sn30 Through Sb Substitution
DOI:10.1007/s11664-011-1590-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:5  AU: Kono, Yasushi;Ohya, Nobuyuki;Saiga, Yuhta;Suekuni, Koichiro;Takabatake, Toshiro;Akai, Koji;Yamamoto, Setsuo;
19:42:18     Crystallographic, Thermoelectric, and Mechanical Properties of Polycrystalline Ba8Al (x) Si46-x Clathrates
DOI:10.1007/s11664-012-2418-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Anno, Hiroaki;Hokazono, Masahiro;Shirataki, Ritsuko;Nagami, Yuko;
19:42:19     Study of alpha <-> beta transformation in the dimorphic clathrate Ba8Ga16Sn30
DOI:10.1080/14786435.2012.681710  JN:PHILOSOPHICAL MAGAZINE  PY:2012
  TC:6  AU: Du, Baoli;Saiga, Yuta;Kajisa, Kousuke;Takabatake, Toshiro;Nishibori, Eiji;Sawa, Hiroshi;
19:42:20     Structural, electronic, phonon and thermodynamic properties of hypothetical type-VIII clathrates Ba8Si46 and Ba8Al16Si30 investigated by first principles
DOI:10.1016/j.jallcom.2013.10.190  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Norouzzadeh, Payam;Myles, Charles W.;Vashaee, Daryoosh;
19:42:21     Thermoelectric properties of n-type Mn3-xCrxSi4Al2 in air
DOI:10.1063/1.4755793  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Funahashi, R.;Matsumura, Y.;Tanaka, H.;Takeuchi, T.;Norimatsu, W.;Combe, E.;Suzuki, R. O.;Wang, Y.;Wan, C.;Katsuyama, S.;Kusunoki, M.;Koumoto, K.;
19:42:22     The High-Temperature Thermoelectric Properties of Polycrystalline Ba8Ga (x) Al (y) Si46-x-y Type-I Clathrates
DOI:10.1007/s11664-014-2991-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Kikuchi, Daisuke;Tadokoro, Jun;Eguchi, Tatsuhiko;
19:43:1     High-Pressure Routes in the Thermoelectricity or How One Can Improve a Performance of Thermoelectrics
DOI:10.1021/cm902000x  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:43  AU: Ovsyannikov, Sergey V.;Shchennikov, Vladimir V.;
19:43:2     "Smart" silicon: Switching between p- and n-conduction under compression
DOI:10.1063/1.4742345  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:9  AU: Ovsyannikov, Sergey V.;Korobeinikov, Igor V.;Morozova, Natalia V.;Misiuk, Andrzej;Abrosimov, Nikolai V.;Shchennikov, Vladimir V.;
19:43:3     Bulk Silicon Crystals with the High Boron Content, Si1-xBx: Two Semiconductors Form an Unusual Metal
DOI:10.1021/cm502083v  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:1  AU: Ovsyannikov, Sergey V.;Gou, Huiyang;Karkin, Alexander E.;Shchennikov, Vladimir V.;Wirth, Richard;Dmitriev, Vladimir;Nakajima, Yoichi;Dubrovinskaia, Natalia;Dubrovinsky, Leonid S.;
19:43:4     High-pressure behavior of structural, optical, and electronic transport properties of the golden Th2S3-type Ti2O3
DOI:10.1103/PhysRevB.88.184106  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Ovsyannikov, Sergey V.;Wu, Xiang;Garbarino, Gaston;Nunez-Regueiro, Manuel;Shchennikov, Vladimir V.;Khmeleva, Julia A.;Karkin, Alexander E.;Dubrovinskaia, Natalia;Dubrovinsky, Leonid;
19:43:5     Colossal tuning of an energy gap in Sn2P2S6 under pressure
DOI:10.1063/1.3662926  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:6  AU: Shchennikov, Vladimir V.;Morozova, Natalia V.;Tyagur, Iryna;Tyagur, Yuriy;Ovsyannikov, Sergey V.;
19:43:6     Similar behavior of thermoelectric properties of lanthanides under strong compression up to 20 GPa
DOI:10.1063/1.4726247  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:7  AU: Shchennikov, Vladimir V.;Morozova, Natalia V.;Ovsyannikov, Sergey V.;
19:43:7     Pressure cycling of InN to 20 GPa: In situ transport properties and amorphization
DOI:10.1063/1.3466913  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:9  AU: Ovsyannikov, Sergey V.;Shchennikov, Vladimir V.;Karkin, Alexander E.;Polian, Alain;Briot, Olivier;Ruffenach, Sandra;Gil, Bernard;Moret, Matthieu;
19:43:8     Raman spectroscopy of ferroelectric Sn2P2S6 under high pressure up to 40 GPa: Phase transitions and metallization
DOI:10.1063/1.4772624  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Ovsyannikov, Sergey V.;Gou, Huiyang;Morozova, Natalia V.;Tyagur, Iryna;Tyagur, Yuriy;Shchennikov, Vladimir V.;
19:43:9     A Hard Oxide Semiconductor with A Direct and Narrow Bandgap and Switchable p-n Electrical Conduction
DOI:10.1002/adma.201403304  JN:ADVANCED MATERIALS  PY:2014
  TC:1  AU: Ovsyannikov, Sergey V.;Karkin, Alexander E.;Morozova, Natalia V.;Shchennikov, Vladimir V.;Bykova, Elena;Abakumov, Artem M.;Tsirlin, Alexander A.;Glazyrin, Konstantin V.;Dubrovinsky, Leonid;
19:43:10     Room temperature writing of electrically conductive and insulating zones in silicon by nanoindentation
DOI:10.1063/1.3549191  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:14  AU: Ruffell, S.;Sears, K.;Bradby, J. E.;Williams, J. S.;
19:43:11     Tuning of the stoichiometry of Fe1-xO wustite by compression
DOI:10.1103/PhysRevB.81.060101  JN:PHYSICAL REVIEW B  PY:2010
  TC:12  AU: Ovsyannikov, Sergey V.;Shchennikov, Vladimir V.;Shvetsova, Maria A.;Dubrovinsky, Leonid S.;Polian, Alain;
19:43:12     Pressure-temperature phase diagram of Ti2O3 and physical properties in the golden Th2S3-type phase
DOI:10.1103/PhysRevB.86.024106  JN:PHYSICAL REVIEW B  PY:2012
  TC:7  AU: Ovsyannikov, Sergey V.;Wu, Xiang;Karkin, Alexander E.;Shchennikov, Vladimir V.;Manthilake, Geeth M.;
19:43:13     Thermoelectric Power of Different Phases and States of Silicon at High Pressure
DOI:10.1007/s11664-013-2602-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Shchennikov, V. V.;Shchennikov, Vs. V.;Streltsov, S. V.;Korobeynikov, I. V.;Ovsyannikov, S. V.;
19:43:14     Effects of pressure and temperature on the thermal conductivity of Sn2P2S6
DOI:10.1103/PhysRevB.83.134121  JN:PHYSICAL REVIEW B  PY:2011
  TC:6  AU: Andersson, O.;Chobal, O.;Rizak, I.;Rizak, V.;Sabadosh, V.;
19:43:15     Effect of doping and counterdoping on high-pressure phase transitions of silicon
DOI:10.1063/1.3457479  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:5  AU: Guo, J. J.;Pan, D.;Yan, X. Q.;Fujita, T.;Chen, M. W.;
19:43:16     High-pressure cycling of hematite alpha-Fe2O3: Nanostructuring, in situ electronic transport, and possible charge disproportionation
DOI:10.1103/PhysRevB.86.205131  JN:PHYSICAL REVIEW B  PY:2012
  TC:15  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD)  in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum  coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;Spin-assisted covalent bond mechanism in "charge-ordering" perovskite;oxides;PHYSICAL REVIEW B;86;19;195144;10.1103/PhysRevB.86.195144;NOV 30 2012;2012;First-principles density functional calculations on the metal-insulator;transition (MIT) in perovskite CaFeO3 point to local ferromagnetic;coupling as the microscopic origin for the electronic "charge order";transition. Our atomic, electronic, and magnetic structure analyses;reveal that the MIT results from a spin-assisted covalent bonding;mechanism between the O 2p and Fe 3d states with anisotropic Fe-O bonds;and negligible intersite Fe-Fe charge transfer. We suggest that control;of the lattice distortions, which mediate the covalent bond formation,;in oxides containing late transition-metal row cations in high valence;states provides a platform to tailor electronic transitions.;Rondinelli, James/A-2071-2009; Cammarata, Antonio/A-4883-2014;Rondinelli, James/0000-0003-0508-2175; Cammarata,;Antonio/0000-0002-5691-0682;7;0;0;0;7;1098-0121;WOS:000311715000003;;;J;Clem, John R.;Kogan, V. G.;Kinetic impedance and depairing in thin and narrow superconducting films;PHYSICAL REVIEW B;86;17;174521;10.1103/PhysRevB.86.174521;NOV 30 2012;2012;We use both Eilenberger-Usadel and Ginzburg-Landau (GL) theory to;calculate the superfluid's temperature-dependent kinetic inductance for;all currents up to the depairing current in thin and narrow;superconducting films. The calculations apply to BCS weak-coupling;superconductors with isotropic gaps and transport mean-free paths much;less than the BCS coherence length. The kinetic inductance is calculated;for the response to a small alternating current when the film is;carrying a dc bias current. In the slow-experiment/fast-relaxation;limit, in which the superconducting order parameter quasistatically;follows the time-dependent current, the kinetic inductance diverges as;the bias current approaches the depairing value. However, in the;fast-experiment/slow-relaxiation limit, in which the the superconducting;order parameter remains fixed at a value corresponding to the dc bias;current, the kinetic inductance rises to a finite value at the depairing;current. We then use time-dependent GL theory to calculate the kinetic;impedance of the superfluid, which includes not only the kinetic;reactance, but also the kinetic resistance of the superfluid arising;from dissipation due to order-parameter relaxation. The kinetic;resistance is largest for angular frequencies omega obeying omega tau(s);> 1, where tau(s) is the order-parameter relaxation time, and for bias;currents close to the depairing current. We also include the normal;fluid's contribution to dissipation in deriving an expression for the;total kinetic impedance. The Appendices contain many details about the;temperature-dependent behavior of superconductors carrying current up to;the depairing value.;3;0;0;0;3;1098-0121;WOS:000311714600005;;;J;Cohn, J. L.;Boynton, P.;Trivino, J. S.;Trastoy, J.;White, B. D.;dos Santos, C. A. M.;Neumeier, J. J.;Stoichiometry, structure, and transport in the quasi-one-dimensional;metal Li0.9Mo6O17;PHYSICAL REVIEW B;86;19;195143;10.1103/PhysRevB.86.195143;NOV 30 2012;2012;A correlation between lattice parameters, oxygen composition, and the;thermoelectric and Hall coefficients is presented for single-crystal;Li0.9Mo6O17, a quasi-one-dimensional (Q1D) metallic compound. The;possibility that this compound is a compensated metal is discussed in;light of a substantial variability observed in the literature for these;transport coefficients.;1;0;0;0;1;1098-0121;WOS:000311715000002;;;J;Crepaldi, A.;Ressel, B.;Cilento, F.;Zacchigna, M.;Grazioli, C.;Berger, H.;Bugnon, Ph.;Kern, K.;Grioni, M.;Parmigiani, F.;Ultrafast photodoping and effective Fermi-Dirac distribution of the;Dirac particles in Bi2Se3;PHYSICAL REVIEW B;86;20;205133;10.1103/PhysRevB.86.205133;NOV 30 2012;2012;We exploit time- and angle-resolved photoemission spectroscopy to;determine the evolution of the out-of-equilibrium electronic structure;of the topological insulator Bi2Se3. The response of the Fermi-Dirac;distribution to ultrashort IR laser pulses has been studied by modeling;the dynamics of hot electrons after optical excitation. We disentangle a;large increase in the effective temperature (T*) from a shift of the;chemical potential (mu*), which is consequence of the ultrafast;photodoping of the conduction band. The relaxation dynamics of T* and;mu* are k independent and these two quantities uniquely define the;evolution of the excited charge population. We observe that the energy;dependence of the nonequilibrium charge population is solely determined;by the analytical form of the effective Fermi-Dirac distribution.;14;1;0;0;14;1098-0121;WOS:000311715100007;;;J;Dumlich, Heiko;Reich, Stephanie;Nanotube bundles and tube-tube orientation: A van der Waals density;functional study (vol 84, 064121, 2011);PHYSICAL REVIEW B;86;17;179905;10.1103/PhysRevB.86.179905;NOV 30 2012;2012;0;0;0;0;0;1098-0121;WOS:000311714600007;;;J;Fukutani, Keisuke;Hayashi, Hirokazu;Yakovkin, Ivan N.;Habuchi, Takafumi;Hirayama, Daisuke;Jiang, Jian;Iwasawa, Hideaki;Shimada, Kenya;Losovyj, Ya. B.;Dowben, Peter A.;Enhanced electron-phonon coupling at the Au/Mo(112) surface;PHYSICAL REVIEW B;86;20;205432;10.1103/PhysRevB.86.205432;NOV 30 2012;2012;A detailed investigation of the electronic structure and electron-phonon;coupling for a Au monolayer on the Mo(112) surface is presented. The;electronic states of bulk Mo and the (112) surface-derived states are;seen to strongly hybridize with those of the Au overlayer, resulting in;the formation of surface resonance states localized near the surface and;the interface of Au/Mo(112). The experimentally extracted self-energy;due to the electron-phonon coupling on one of the surface resonance;bands gives a good quantitative agreement with the calculations. The;strength of electron-phonon coupling for Au/Mo(112) is discussed in;terms of the mass enhancement factor and is considerably larger than for;the Mo(112) surface. Such an increase in the mass enhancement factor in;the vicinity of the Fermi level likely derives from the soft surface;phonon modes created upon Au adsorption.;2;0;0;0;2;1098-0121;WOS:000311715100011;;;J;Hamada, Ikutaro;Adsorption of water on graphene: A van der Waals density functional;study;PHYSICAL REVIEW B;86;19;195436;10.1103/PhysRevB.86.195436;NOV 30 2012;2012;The van der Waals density functional (vdW-DF) was used to investigate;the interaction of a water monomer with graphene. It was found that a;variant of vdW-DF [Hamada and Otani, Phys. Rev. B 82, 153412 (2010)];predicts geometries and energetics of water on graphene which are in;good agreement with those obtained using more elaborate random-phase;approximation and quantum Monte Carlo approaches. Interfacial electronic;structures were also analyzed in detail.;Hamada, Ikutaro/E-8040-2010;Hamada, Ikutaro/0000-0001-5112-2452;12;1;0;0;12;1098-0121;WOS:000311715000010;;;J;Hofmann, D.;Kuemmel, S.;Integer particle preference during charge transfer in Kohn-Sham theory;PHYSICAL REVIEW B;86;20;201109;10.1103/PhysRevB.86.201109;NOV 30 2012;2012;We investigate the static and dynamic charge transfer that is triggered;by external electric fields in model molecular wires. A self-interaction;correction in Kohn-Sham density functional theory leads to the desired;integer electron transfers that do not occur with standard functionals;which miss Coulomb blockade effects. Analysis of the multiplicative;exchange-correlation potential in stationary cases and during real-time;propagation shows how the local exchange-correlation potential builds up;step and reverse-step structures that enforce the integer particle;preference. The role of spin-symmetry breaking is discussed.;Kummel, Stephan/K-5634-2014;8;0;0;0;8;1098-0121;WOS:000311715100002;;;J;Illg, Christian;Meyer, Bernd;Faehnle, Manfred;Frequencies and polarization vectors of phonons: Results from force;constants which are fitted to experimental data or calculated ab initio;PHYSICAL REVIEW B;86;17;174309;10.1103/PhysRevB.86.174309;NOV 30 2012;2012;The properties of phonons may be calculated from the dynamical matrix;which is determined by force constants. Often the force constants are;obtained by fitting them to experimental phonon frequencies, e. g., for;wave vectors q on high-symmetry directions of the Brillouin zone. It is;well known that these force constants do not necessarily lead to correct;frequencies for wave vectors for nonsymmetrical q and to correct;polarization vectors. In the present paper this is demonstrated by;comparing for fcc Ni, fcc Al, and bcc Fe the frequencies and;polarization vectors calculated from fitted force constants with the;results from ab initio calculated force constants. However, for most;regions of the Brillouin zone the differences between the results;obtained from the two sets of force constants are not large.;1;0;0;0;1;1098-0121;WOS:000311714600003;;;J;Iori, Federico;Rodolakis, Fanny;Gatti, Matteo;Reining, Lucia;Upton, M.;Shvyd'ko, Y.;Rueff, Jean-Pascal;Marsi, Marino;Low-energy excitations in strongly correlated materials: A theoretical;and experimental study of the dynamic structure factor in V2O3;PHYSICAL REVIEW B;86;20;205132;10.1103/PhysRevB.86.205132;NOV 30 2012;2012;This work contains an experimental and theoretical study of the dynamic;structure factor at large momentum transfer vertical bar Q vertical bar;similar to 4 angstrom(-1) of the strongly correlated transition-metal;oxide V2O3. We focus in particular on the transitions between d states;that give rise to the spectra below 6 eV. We show that the main peak in;this energy range is mainly due to t(2g) -> e(g)(sigma) transitions, and;that it carries a signature of the phase transition between the;paramagnetic insulator and the paramagnetic metal that can already be;understood from the joint density of states calculated at the level of;the static local density approximation. Instead, in order to obtain;theoretical spectra that are overall similar to the measured ones, we;have to go beyond the static approximation and include at least crystal;local field effects. The latter turn out to be crucial in order to;eliminate a spurious peak and hence allow a safe comparison between;theory and experiment, including an analysis of the strong anisotropy of;the spectra.;CSIC-UPV/EHU, CFM/F-4867-2012; Iori, Federico/E-5372-2013; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Iori, Federico/0000-0002-7677-3435;;4;0;0;0;4;1098-0121;WOS:000311715100006;;;J;Kharitonov, Maxim;Antiferromagnetic state in bilayer graphene;PHYSICAL REVIEW B;86;19;195435;10.1103/PhysRevB.86.195435;NOV 30 2012;2012;Motivated by the recent experiment of Velasco Jr. et al. [J. Velasco Jr.;et al., Nat. Nanotechnology 7, 156 (2012)], we develop a mean-field;theory of the interaction-induced antiferromagnetic (AF) state in;bilayer graphene at charge neutrality point at arbitrary perpendicular;magnetic field B. We demonstrate that the AF state can persist at all B.;At higher B, the state continuously crosses over to the AF phase of the;nu = 0 quantum Hall ferromagnet, recently argued to be realized in the;insulating nu = 0 state. The mean-field quasiparticle gap is finite at B;= 0 and grows with increasing B, becoming quasilinear in the quantum;Hall regime, in accord with the reported behavior of the transport gap.;By adjusting the two free parameters of the model, we obtain a;simultaneous quantitative agreement between the experimental and;theoretical values of the key parameters of the gap dependence-its;zero-field value and slope at higher fields. Our findings suggest that;the insulating state observed in bilayer graphene in Ref. 1 is;antiferromagnetic (canted, once the Zeeman effect is taken into account);at all magnetic fields.;19;1;0;0;19;1098-0121;WOS:000311715000009;;;J;Klos, J. W.;Kumar, D.;Romero-Vivas, J.;Fangohr, H.;Franchin, M.;Krawczyk, M.;Barman, A.;Effect of magnetization pinning on the spectrum of spin waves in;magnonic antidot waveguides;PHYSICAL REVIEW B;86;18;184433;10.1103/PhysRevB.86.184433;NOV 30 2012;2012;We study the spin-wave spectra in magnonic antidot waveguides (MAWs) for;two limiting cases (strong and negligible) of the surface anisotropy at;the ferromagnet/air interface. The MAWs under investigation have the;form of a thin stripe of permalloy with a single row of periodically;arranged antidots in the middle. The introduction of a magnetization;pinning at the edges of the permalloy stripe and the edges of antidots;is found to modify the spin-wave spectrum. This effect is shown to be;necessary for magnonic gaps to open in the considered systems. Our study;demonstrates that the surface anisotropy can be crucial in the practical;applications of MAWs and related structures and in the interpretation of;experimental results in one-and two-dimensional magnonic crystals. We;used three different numerical methods, i.e., plane waves method (PWM),;finite difference method, and finite element method to validate the;results. We showed that PWM in the present formulation assumes pinned;magnetization, while in micromagnetic simulations special care must be;taken to introduce pinning.;Fangohr, Hans/C-6367-2008; Klos, Jaroslaw/G-9728-2012;Fangohr, Hans/0000-0001-5494-7193; Klos, Jaroslaw/0000-0002-5858-2950;13;2;0;0;13;1098-0121;WOS:000311714700002;;;J;Kolata, K.;Koester, N. S.;Chernikov, A.;Drexler, M. J.;Gatti, E.;Cecci, S.;Chrastina, D.;Isella, G.;Guzzi, M.;Chatterjee, S.;Dephasing in Ge/SiGe quantum wells measured by means of coherent;oscillations;PHYSICAL REVIEW B;86;20;201303;10.1103/PhysRevB.86.201303;NOV 30 2012;2012;We present a dephasing time analysis of the excitonic resonances in;Ge/SiGe quantum wells for various lattice temperatures by coherent;oscillation spectroscopy (COS). The results are compared to the;linewidths of the excitonic resonances determined from linear absorption;measurements. Additionally, COS is applied to different samples with;varying linewidth, identifying one sample with a dominating;homogeneously broadened 1s excitonic resonance down to 7 K.;Chatterjee, Sangam/E-3124-2012;2;0;0;0;2;1098-0121;WOS:000311715100003;;;J;Lang, Li-Jun;Chen, Shu;Majorana fermions in density-modulated p-wave superconducting wires;PHYSICAL REVIEW B;86;20;205135;10.1103/PhysRevB.86.205135;NOV 30 2012;2012;We study the p-wave superconducting wire with a periodically modulated;chemical potential and show that the Majorana edge states are robust;against the periodic modulation. We find that the critical amplitude of;modulated potential, at which the Majorana edge fermions and topological;phase disappear, strongly depends on the phase shifts. For some specific;values of the phase shift, the critical amplitude tends to infinity. The;existence of Majorana edge fermions in the open chain can be;characterized by a topological Z(2) invariant of the bulk system, which;can be applied to determine the phase boundary between the topologically;trivial and nontrivial superconducting phases. We also demonstrate the;existence of the zero-energy peak in the spectral function of the;topological superconducting phase, which is only sensitive to the open;boundary condition but robust against the disorder.;Lang, Li-Jun/C-2815-2014;Lang, Li-Jun/0000-0001-6038-8340;11;0;0;0;11;1098-0121;WOS:000311715100009;;;J;Lazicki, Amy;Dewaele, Agnes;Loubeyre, Paul;Mezouar, Mohamed;High-pressure-temperature phase diagram and the equation of state of;beryllium;PHYSICAL REVIEW B;86;17;174118;10.1103/PhysRevB.86.174118;NOV 30 2012;2012;X-ray diffraction of beryllium in a laser-heated diamond anvil cell;provides experimental insight into its behavior at high pressure and;temperature. We measure the cold compression of Be in helium and NaCl;pressure media up 192 GPa, and its thermal expansion up to 82 GPa and;2630 K. The new measurements form a P-V-T data set which is fit by the;Vinet-Debye form to establish a Be experimental equation of state. We;compare the results to several theoretical models. The crystal structure;of Be is determined up to 205 GPa and 4000 K; no evidence for the;predicted high-temperature transition to a cubic phase is found.;Finally, the maximum temperature stability of the solid phase along;isobaric heating ramps gives a lower bound for the melting curve.;5;0;0;0;5;1098-0121;WOS:000311714600002;;;J;Li, J.;Ekuma, C. E.;Vekhter, I.;Jarrell, M.;Moreno, J.;Stadler, S.;Karki, A. B.;Jin, R.;Physical properties of Ba2Mn2Sb2O single crystals;PHYSICAL REVIEW B;86;19;195142;10.1103/PhysRevB.86.195142;NOV 30 2012;2012;We report both experimental and theoretical investigations of the;physical properties of Ba2Mn2Sb2O single crystals. This material;exhibits a hexagonal structure with lattice constants a = 4.7029(15) A;and c = 19.9401(27) A, as obtained from powder x-ray diffraction;measurements, and in agreement with structural optimization through;density functional theory (DFT) calculations. The magnetic;susceptibility and specific heat show anomalies at T-N = 60 K,;consistent with antiferromagnetic ordering. However, the magnitude of;T-N is significantly smaller than the Curie-Weiss temperature (vertical;bar Theta(CW)vertical bar approximate to 560 K), suggesting a magnetic;system of reduced dimensionality. The temperature dependence of both the;in-plane and out-of-plane resistivity changes from activated at T > T-x;similar to 200 K to logarithmic at T < T-x. Correspondingly, the;magnetic susceptibility displays a bump at T-x. DFT calculations at the;DFT + U level support the experimental observation of an;antiferromagnetic ground state.;Vekhter, Ilya/M-1780-2013; Moreno, Juana/D-5882-2012;0;0;0;0;0;1098-0121;WOS:000311715000001;;;J;Mafra, D. L.;Kong, J.;Sato, K.;Saito, R.;Dresselhaus, M. S.;Araujo, P. T.;Using gate-modulated Raman scattering and electron-phonon interactions;to probe single-layer graphene: A different approach to assign phonon;combination modes;PHYSICAL REVIEW B;86;19;195434;10.1103/PhysRevB.86.195434;NOV 30 2012;2012;Gate-modulated and laser-dependent Raman spectroscopy have been widely;used to study q = 0 zone center phonon modes, their self-energy, and;their coupling to electrons in graphene systems. In this work we use;gate-modulated Raman of q not equal 0 phonons as a technique to;understand the nature of five second-order Raman combination modes;observed in the frequency range of 1700-2300 cm(-1) of single-layer;graphene (SLG). Anomalous phonon self-energy renormalization phenomena;are observed in all five combination modes within this intermediate;frequency region, which can clearly be distinguished from one another.;By combining the anomalous phonon renormalization effect with the double;resonance Raman theory, which includes both phonon dispersion relations;and angular dependence of the electron-phonon scattering matrix;elements, and by comparing it to the experimentally obtained phonon;dispersion, measured by using different laser excitation energies, we;can assign each Raman peak to the proper phonon combination mode. This;approach should also shed light on the understanding of more complex;structures such as few-layer graphene (FLG) and its stacking orders as;well as other two-dimensional (2D)-like materials.;Sato, Kentaro/B-7163-2008; Saito, Riichiro/B-1132-2008;Sato, Kentaro/0000-0001-6706-2175;;5;2;1;0;5;1098-0121;WOS:000311715000008;;;J;Mazza, Giacomo;Fabrizio, Michele;Dynamical quantum phase transitions and broken-symmetry edges in the;many-body eigenvalue spectrum;PHYSICAL REVIEW B;86;18;184303;10.1103/PhysRevB.86.184303;NOV 30 2012;2012;Many-body models undergoing a quantum phase transition to a;broken-symmetry phase that survives up to a critical temperature must;possess, in the ordered phase, symmetric as well as nonsymmetric;eigenstates. We predict, and explicitly show in the fully connected;Ising model in a transverse field, that these two classes of eigenstates;do not overlap in energy, and therefore that an energy edge exists;separating low-energy symmetry-breaking eigenstates from high-energy;symmetry-invariant ones. This energy is actually responsible, as we;show, for the dynamical phase transition displayed by this model under a;sudden large increase of the transverse field. A second situation we;consider is the opposite, where the symmetry-breaking eigenstates are;those in the high-energy sector of the spectrum, whereas the low-energy;eigenstates are symmetric. In that case too a special energy must exist;marking the boundary and leading to unexpected out-of-equilibrium;dynamical behavior. An example is the fermonic repulsive Hubbard model;Hamiltonian H. Exploiting the trivial fact that the high-energy spectrum;of H is also the low-energy one of -H, we conclude that the high-energy;eigenstates of the Hubbard model are superfluid. Simulating in a;time-dependent Gutzwiller approximation the time evolution of a;high-energy BCS-like trial wave function, we show that a small;superconducting order parameter will actually grow in spite of the;repulsive nature of the interaction.;fabrizio, michele/N-3762-2014;2;0;0;0;2;1098-0121;WOS:000311714700001;;;J;Mueller, T.;Aharonovich, I.;Wang, Z.;Yuan, X.;Castelletto, S.;Prawer, S.;Atatuere, M.;Phonon-induced dephasing of chromium color centers in diamond;PHYSICAL REVIEW B;86;19;195210;10.1103/PhysRevB.86.195210;NOV 30 2012;2012;We report on the coherence properties of single photons from;chromium-based color centers in diamond. We use field-correlation and;spectral line-shape measurements to reveal the interplay between slow;spectral wandering and fast dephasing mechanisms as a function of;temperature. The zero-phonon transition frequency and its linewidth;follow a power-law dependence on temperature, which is consistent with;direct electron-phonon coupling and phonon-modulated Coulomb coupling to;nearby impurities, which are the predominant fast dephasing mechanisms;for these centers. Further, the observed reduction in the quantum yield;for photon emission as a function of temperature suggests the opening of;additional nonradiative channels through thermal activation to;higher-energy states and indicates a near-unity quantum efficiency at 4;K.;castelletto, stefania/G-1516-2011; McKenzie, Warren/J-2137-2014;3;0;0;0;3;1098-0121;WOS:000311715000007;;;J;Murthy, Ganpathy;Shankar, R.;Hamiltonian theory of fractionally filled Chern bands;PHYSICAL REVIEW B;86;19;195146;10.1103/PhysRevB.86.195146;NOV 30 2012;2012;There is convincing numerical evidence that fractional quantum-Hall-like;ground states arise in fractionally filled Chern bands. Here, we show;that the Hamiltonian theory of composite fermions (CF) can be as useful;in describing these states as it was in describing the fractional;quantum Hall effect (FQHE) in the continuum. We are able to introduce;CFs into the fractionally filled Chern-band problem in two stages.;First, we construct an algebraically exact mapping which expresses the;electron density projected to the Chern band rho(FCB) as a sum of;Girvin-MacDonald-Platzman density operators rho(GMP) that obey the;magnetic translation algebra. Next, following our Hamiltonian treatment;of the FQH problem, we rewrite the operators rho(GMP) in terms of CF;variables which reproduce the same algebra. This naturally produces a;unique Hartree-Fock ground state for the CFs, which can be used as a;springboard for computing gaps, response functions,;temperature-dependent phenomena, and the influence of disorder. We give;two concrete examples, one of which has no analog in the continuum FQHE;with nu = 1/5 and sigma(xy) = 2/5. Our approach can be easily extended;to fractionally filled, strongly interacting two-dimensional;time-reversal-invariant topological insulators.;15;0;0;0;15;1098-0121;WOS:000311715000005;;;J;Ovsyannikov, Sergey V.;Morozova, Natalia V.;Karkin, Alexander E.;Shchennikov, Vladimir V.;
19:43:17     Superelastic carbon spheres under high pressure
DOI:10.1063/1.4798556  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Li, Meifen;Guo, Junjie;Xu, Bingshe;
19:43:18     High-pressure and high-temperature multianvil synthesis of metastable polymorphs of Bi2O3: Crystal structure and electronic properties
DOI:10.1103/PhysRevB.82.024106  JN:PHYSICAL REVIEW B  PY:2010
  TC:10  AU: Ghedia, S.;Locherer, T.;Dinnebier, R.;Prasad, D. L. V. K.;Wedig, U.;Jansen, M.;Senyshyn, A.;
19:43:19     Nonlinear elastic behavior and failure mechanism of polyhedral graphite particles undergoing uniaxial compression
DOI:10.1063/1.4891729  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Li, B.;Zhang, P.;Fu, Q. Q.;Li, X. F.;Zhao, X.;Song, X. L.;
19:43:20     Decomposition of perovskite FeTiO3 into wustite Fe1-xTi0.5xO and orthorhombic FeTi3O7 at high pressure
DOI:10.1103/PhysRevB.82.092103  JN:PHYSICAL REVIEW B  PY:2010
  TC:4  AU: Nishio-Hamane, D.;Yagi, T.;Ohshiro, M.;Niwa, K.;Okada, T.;Seto, Y.;
19:43:21     High-pressure structural evolution of HP-Bi2O3
DOI:10.1103/PhysRevB.83.214102  JN:PHYSICAL REVIEW B  PY:2011
  TC:4  AU: Locherer, T.;Prasad, Dasari L. V. K.;Dinnebier, R.;Wedig, U.;Jansen, M.;Garbarino, G.;Hansen, T.;
19:43:22     Boron deactivation in heavily boron-doped Czochralski silicon during rapid thermal anneal: Atomic level understanding
DOI:10.1063/1.4862662  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Gao, Chao;Lu, Yunhao;Dong, Peng;Yi, Jun;Ma, Xiangyang;Yang, Deren;
19:43:23     Effect of Polarization State on Photovoltaic Properties of Ferroelectric Semiconductor Sn2P2S6 Films
DOI:10.1080/00150193.2010.489864  JN:FERROELECTRICS  PY:2010
  TC:1  AU: Bogomolov, A. A.;Solnyshkin, A. V.;Troshkin, A. S.;Raevsky, I. P.;Sandjiev, D. N.;Shonov, V. Yu.;
19:43:24     Electronic structural details of donor-vacancy complexes in Si-doped Ge and Ge-doped Si
DOI:10.1016/j.tsf.2009.09.168  JN:THIN SOLID FILMS  PY:2010
  TC:2  AU: Coutinho, J.;Castro, F.;Torres, V. J. B.;Carvalho, A.;Barroso, M.;Briddon, P. R.;
19:44:1     Enhancement of Thermal Energy Transport Across Graphene/Graphite and Polymer Interfaces: A Molecular Dynamics Study
DOI:10.1002/adfm.201103048  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2012
  TC:47  AU: Luo, Tengfei;Lloyd, John R.;
19:44:2     Tuning the thermal conductivity of polymers with mechanical strains
DOI:10.1103/PhysRevB.81.174122  JN:PHYSICAL REVIEW B  PY:2010
  TC:34  AU: Liu, Jun;Yang, Ronggui;
19:44:3     Molecular Bridge Enables Anomalous Enhancement in Thermal Transport across Hard-Soft Material Interfaces
DOI:10.1002/adma.201400954  JN:ADVANCED MATERIALS  PY:2014
  TC:2  AU: Sun, Fangyuan;Zhang, Teng;Jobbins, Matthew M.;Guo, Zhi;Zhang, Xueqiang;Zheng, Zhongli;Tang, Dawei;Ptasinska, Sylwia;Luo, Tengfei;
19:44:4     The effect of non-covalent functionalization on the thermal conductance of graphene/organic interfaces
DOI:10.1088/0957-4484/24/16/165702  JN:NANOTECHNOLOGY  PY:2013
  TC:10  AU: Lin, Shangchao;Buehler, Markus J.;
19:44:5     Investigation of thermal conductivity of graphite flake/poly (p-phenylene sulfide) composite by experimental measurement and non-equilibrium molecular dynamics simulation
DOI:10.1016/j.polymer.2013.06.013  JN:POLYMER  PY:2013
  TC:3  AU: Ju, Shin-Pon;Haung, Tien-Jung;Liao, Chun-Hsiung;Chang, Jie-Wei;
19:44:6     High-Contrast, Reversible Thermal Conductivity Regulation Utilizing the Phase Transition of Polyethylene Nanofibers
DOI:10.1021/nn401714e  JN:ACS NANO  PY:2013
  TC:13  AU: Zhang, Teng;Luo, Tengfei;
19:44:7     Morphology-influenced thermal conductivity of polyethylene single chains and crystalline fibers
DOI:10.1063/1.4759293  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:10  AU: Zhang, Teng;Luo, Tengfei;
19:44:8     Length-dependent thermal conductivity of single extended polymer chains
DOI:10.1103/PhysRevB.86.104307  JN:PHYSICAL REVIEW B  PY:2012
  TC:14  AU: Liu, Jun;Yang, Ronggui;
19:44:9     Thermal transport in graphene-based nanocomposite
DOI:10.1063/1.3610386  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:30  AU: Hu, Lin;Desai, Tapan;Keblinski, Pawel;
19:44:10     High thermal conductivity of polyethylene nanowire arrays fabricated by an improved nanoporous template wetting technique
DOI:10.1016/j.polymer.2011.02.019  JN:POLYMER  PY:2011
  TC:24  AU: Cao, Bing-Yang;Li, Yuan-Wei;Kong, Jie;Chen, Heng;Xu, Yan;Yung, Kai-Leung;Cai, An;
19:44:11     1D-to-3D transition of phonon heat conduction in polyethylene using molecular dynamics simulations
DOI:10.1103/PhysRevB.82.144308  JN:PHYSICAL REVIEW B  PY:2010
  TC:11  AU: Henry, Asegun;Chen, Gang;Plimpton, Steven J.;Thompson, Aidan;
19:44:12     Molecular dynamics simulation of thermal energy transport in polydimethylsiloxane (PDMS)
DOI:10.1063/1.3569862  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:14  AU: Luo, Tengfei;Esfarjani, Keivan;Shiomi, Junichiro;Henry, Asegun;Chen, Gang;
19:44:13     Reducing thermal transport in electrically conducting polymers: Effects of ordered mixing of polymer chains
DOI:10.1063/1.4776676  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:4  AU: Pal, Souvik;Balasubramanian, Ganesh;Puri, Ishwar K.;
19:44:14     One-dimensional phonon effects in direct molecular dynamics method for thermal conductivity determination
DOI:10.1063/1.3660234  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:7  AU: Hu, L.;Evans, W. J.;Keblinski, P.;
19:44:15     Iodine doping effects on the lattice thermal conductivity of oxidized polyacetylene nanofibers
DOI:10.1063/1.4831945  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Bi, Kedong;Weathers, Annie;Matsushita, Satoshi;Pettes, Michael T.;Goh, Munju;Akagi, Kazuo;Shi, Li;
19:44:16     Enhanced heat transfer through filler-polymer interface by surface-coupling agent in heat-dissipation material: A non-equilibrium molecular dynamics study
DOI:10.1063/1.4831946  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Tanaka, Kouichi;Ogata, Shuji;Kobayashi, Ryo;Tamura, Tomoyuki;Kitsunezuka, Masashi;Shinma, Atsushi;
19:44:17     Improvement of heat transfer efficiency at solid-gas interfaces by self-assembled monolayers
DOI:10.1063/1.4792530  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:6  AU: Liang, Zhi;Evans, William;Desai, Tapan;Keblinski, Pawel;
19:44:18     Study on high thermal conductivity of mesogenic epoxy resin with spherulite structure
DOI:10.1016/j.polymer.2012.07.065  JN:POLYMER  PY:2012
  TC:5  AU: Song, Shi-hui;Katagi, Hideyuki;Takezawa, Yoshitaka;
19:44:19     Simulation of chain folding in polyethylene: A comparison of united atom and explicit hydrogen atom models
DOI:10.1016/j.polymer.2010.04.049  JN:POLYMER  PY:2010
  TC:6  AU: Li, Chunli;Choi, Phillip;Sundararajan, P. R.;
19:45:1:1     Epitaxial La0.9Ca0.1MnO3 films grown on vicinal cut substrates for the investigation of resistivity and thermoelectric anisotropy
DOI:10.1016/j.jcrysgro.2011.03.010  JN:JOURNAL OF CRYSTAL GROWTH  PY:2011
  TC:13  AU: Yu, L.;Wang, Y.;Zhang, P. X.;Habermeier, H-U;
19:45:1:2     The effect of microstructure on the laser-induced transverse voltage in Pb-doped Bi2Sr2Co2Oy thin films on tilted substrates
DOI:10.1007/s00339-012-7366-8  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2013
  TC:3  AU: Yan, Guoying;Wang, Shufang;Chen, Shanshan;Liu, Fuqiang;Bai, Zilong;Wang, Jianglong;Yu, Wei;Fu, Guangsheng;
19:45:1:3     Gigantic transverse voltage induced via off-diagonal thermoelectric effect in CaxCoO2 thin films
DOI:10.1063/1.3464286  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:21  AU: Takahashi, Kouhei;Kanno, Tsutomu;Sakai, Akihiro;Adachi, Hideaki;Yamada, Yuka;
19:45:1:4     Laser-induced voltage effects in c-axis inclined NaxCoO2 thin films
DOI:10.1016/j.apsusc.2012.03.186  JN:APPLIED SURFACE SCIENCE  PY:2012
  TC:10  AU: Wang, Shufang;Chen, Shanshan;Liu, Fuqiang;Yan, Guoying;Chen, Jinchun;Li, Huiling;Wang, Jianglong;Yu, Wei;Fu, Guangsheng;
19:45:1:5     Transverse thermoelectric response in tilted orientation La1-xSrxCoO3 (0.05 <= x <= 0.4) thin films
DOI:10.1063/1.3673552  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:7  AU: Wang, Y.;Yu, L.;Jiang, B.;Zhang, P. X.;
19:45:1:6     Influence of interband transition on the laser-induced voltage in thermoelectric CaxCoO2 thin films
DOI:10.1103/PhysRevB.83.115107  JN:PHYSICAL REVIEW B  PY:2011
  TC:13  AU: Takahashi, Kouhei;Kanno, Tsutomu;Sakai, Akihiro;Adachi, Hideaki;Yamada, Yuka;
19:45:1:7     Influence of pulse laser energy on laser-induced voltage in La2/3Ca1/3MnO3:Ag-0.04 films
DOI:10.1007/s00339-014-8551-8  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2014
  TC:0  AU: Liu, Xiang;Guo, Zhi-ping;Chen, Qing-ming;Cao, Ming-gang;Duan, Yun-biao;
19:45:1:8     Laser-induced voltage (LIV) enhancement of La2/3Sr1/3MnO3 films with Ag addition
DOI:10.1007/s00339-013-8013-8  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2014
  TC:3  AU: Liu, Xiang;Yan, Yi-zhi;Chen, Qing-ming;Zhang, Hui;Yin, Xue-peng;
19:45:1:9     Effects of substrate-induced-strain on the electrical properties and laser induced voltages of tilted La0.67Ca0.33MnO3 thin films
DOI:10.1063/1.4816472  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Ma, Ji;Zhang, Hui;Chen, Qingming;Liu, Xiang;
19:45:1:10     Effect of Ca doping level on the laser-induced voltages in tilted La1-xCaxMnO3 (0.1 <= x <= 0.7) thin films
DOI:10.1007/s00339-014-8240-7  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2014
  TC:0  AU: Ma, Ji;Theingi, Mya;Zhang, Hui;Chen, Qingming;Liu, Xiang;
19:45:1:11     Laser-induced voltage characteristics of Bi2Sr2Co2Oy thin films on LaAlO3 substrates
DOI:10.1016/j.apsusc.2010.06.055  JN:APPLIED SURFACE SCIENCE  PY:2010
  TC:14  AU: Wang, Shufang;Cheng, Jinchun;Zhao, Xiaohui;Zhao, Songqing;He, Liping;Chen, Mingjing;Yu, Wei;Wang, Jianglong;Fu, Guangsheng;
19:45:1:12     Epitaxial layered cobaltite NaxCoO2 thin films grown on planar and vicinal cut substrates
DOI:10.1016/j.jcrysgro.2011.06.033  JN:JOURNAL OF CRYSTAL GROWTH  PY:2011
  TC:7  AU: Yu, L.;Gu, L.;Wang, Y.;Zhang, P. X.;Habermeier, H. -U.;
19:45:1:13     Effect of annealing oxygen pressure on the enhancement of laser-induced voltage in La2/3Ca1/3MnO3:Ag-0.04 films
DOI:10.1016/j.mseb.2014.02.013  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2014
  TC:2  AU: Liu, Xiang;Yin, Xuepeng;Chen, Qingming;Zhang, Hui;Cao, Minggang;
19:45:1:14     Effects of annealing atmosphere on thermoelectric signals from ZnO films
DOI:10.1016/j.tsf.2010.12.011  JN:THIN SOLID FILMS  PY:2011
  TC:8  AU: Zhou, X. F.;Zhang, H.;Chen, Q. M.;Shang, J.;Zhang, P. X.;
19:45:1:15     Light-induced off-diagonal thermoelectric effect via indirect optical heating of incline-oriented CaxCoO2 thin film
DOI:10.1063/1.4711020  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:8  AU: Takahashi, Kouhei;Kanno, Tsutomu;Sakai, Akihiro;Adachi, Hideaki;Yamada, Yuka;
19:45:1:16     A novel strongly correlated electronic thin-film laser energy/power meter based on anisotropic Seebeck effect
DOI:10.1007/s00339-014-8335-1  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2014
  TC:0  AU: Zhang, G. -Y.;Zhang, H.;Tan, S. -L.;Zhang, P. -X.;Tseng, T. -Y.;Habermeier, H. -U.;Lin, C. -T.;Singjai, P.;
19:45:1:17     Resistivity anisotropy of layered cobaltite Na (x) CoO2 thin films
DOI:10.1007/s00339-013-7576-8  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2013
  TC:0  AU: Yu, L.;Wang, Y.;Habermeier, H. -U.;
19:45:1:18     Thermoelectric conversion via laser-induced voltage in highly textured polycrystalline NaxCoO2 ceramic
DOI:10.1063/1.3660781  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:11  AU: Yan, G. W.;Yu, L.;Wang, Y.;Zhang, H.;Zhang, P. X.;Habermeier, H. -U.;
19:45:1:19     Large transverse thermoelectric voltage effect in incline-oriented SrTi1-xNbxO3 films with cubic structure
DOI:10.1063/1.4812358  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:3  AU: Qin, Yi;Zhao, Ting;Zhang, Hai-Hong;Wang, Bo;Zhang, Peng-Xiang;Yang, Jian-Feng;
19:45:1:20     Effects of crystallinity on laser-induced voltage effect from Zn0.9Co0.1O thin film
DOI:10.1007/s00339-013-7559-9  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2013
  TC:1  AU: Zhou, X. F.;Lu, M. H.;Zhang, H.;Yan, H.;He, C. L.;Hao, R. Y.;
19:45:1:21     A high-performance laser energy meter based on anisotropic Seebeck effect in a strongly correlated electronic thin film
DOI:10.1007/s00339-013-7652-0  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2013
  TC:1  AU: Zhang, G. -Y.;Zheng, H. -R.;Huang, W. -H.;Zhang, X. -Y.;Gao, D. -L.;Zhang, H.;Zhang, P. -X.;Tseng, T. -Y.;Habermeier, H. -U.;Lin, C. -T.;Cheng, H. -H.;
19:45:2:1     Application of the Transverse Thermoelectric Effects
DOI:10.1007/s11664-010-1357-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:13  AU: Goldsmid, H. J.;
19:45:2:2     Tailoring effective thermoelectric tensors and high-density power generation in a tubular Bi0.5Sb1.5Te3/Ni composite with cylindrical anisotropy
DOI:10.1063/1.4732142  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:8  AU: Kanno, Tsutomu;Sakai, Akihiro;Takahashi, Kouhei;Omote, Atsushi;Adachi, Hideaki;Yamada, Yuka;
19:45:2:3     Detection of Thermal Radiation, Sensing of Heat Flux, and Recovery of Waste Heat by the Transverse Thermoelectric Effect
DOI:10.1007/s11664-013-2959-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Kanno, Tsutomu;Takahashi, Kouhei;Sakai, Akihiro;Tamaki, Hiromasa;Kusada, Hideo;Yamada, Yuka;
19:45:2:4     Enhancement in Performance of the Tubular Thermoelectric Generator (TTEG)
DOI:10.1007/s11664-012-2355-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Sakai, Akihiro;Kanno, Tsutomu;Takahashi, Kouhei;Tamaki, Hiromasa;Adachi, Hideaki;Yamada, Yuka;
19:45:3:1     Driving Perpendicular Heat Flow: (p x n)-Type Transverse Thermoelectrics for Microscale and Cryogenic Peltier Cooling
DOI:10.1103/PhysRevLett.110.227701  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:5  AU: Zhou, Chuanle;Birner, S.;Tang, Yang;Heinselman, K.;Grayson, M.;
19:45:3:2     Transverse thermoelectric devices
DOI:10.1007/s00339-010-5742-9  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2010
  TC:13  AU: Reitmaier, C.;Walther, F.;Lengfellner, H.;
19:45:3:3     Asymmetric Andreev reflection induced electrical and thermal Hall-like effects in metal/anisotropic superconductor junctions
DOI:10.1103/PhysRevB.89.064512  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Ren, Jie;Zhu, Jian-Xin;
19:45:3:4     Driving Perpendicular Heat Flow: (p x n)-Type Transverse Thermoelectrics for Microscale and Cryogenic Peltier Cooling (vol 110, 227701, 2013)
DOI:10.1103/PhysRevLett.111.249901  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:0  AU: Zhou, Chuanle;Birner, S.;Tang, Yang;Heinselman, K.;Grayson, M.;
19:45:3:5     Power generation by the transverse Seebeck effect in Pb-Bi2Te3 multilayers
DOI:10.1007/s00339-011-6590-y  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2011
  TC:3  AU: Reitmaier, C.;Walther, F.;Lengfellner, H.;
19:46:1     Molecular dynamics simulations of lattice thermal conductivity and spectral phonon mean free path of PbTe: Bulk and nanostructures
DOI:10.1016/j.commatsci.2011.08.016  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2012
  TC:35  AU: Qiu, Bo;Bao, Hua;Zhang, Gengqiang;Wu, Yue;Ruan, Xiulin;
19:46:2     Effect of thermal disorder on high figure of merit in PbTe
DOI:10.1103/PhysRevB.86.045213  JN:PHYSICAL REVIEW B  PY:2012
  TC:12  AU: Kim, Hyoungchul;Kaviany, Massoud;
19:46:3     Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics
DOI:10.1103/PhysRevLett.112.175501  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:2  AU: Li, C. W.;Hellman, O.;Ma, J.;May, A. F.;Cao, H. B.;Chen, X.;Christianson, A. D.;Ehlers, G.;Singh, D. J.;Sales, B. C.;Delaire, O.;
19:46:4     Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles
DOI:10.1103/PhysRevB.89.205203  JN:PHYSICAL REVIEW B  PY:2014
  TC:2  AU: Skelton, Jonathan M.;Parker, Stephen C.;Togo, Atsushi;Tanaka, Isao;Walsh, Aron;
19:46:5     Local off-centering symmetry breaking in the high-temperature regime of SnTe
DOI:10.1103/PhysRevB.89.014102  JN:PHYSICAL REVIEW B  PY:2014
  TC:1  AU: Knox, K. R.;Bozin, E. S.;Malliakas, C. D.;Kanatzidis, M. G.;Billinge, S. J. L.;
19:46:6     Lattice dynamics reveals a local symmetry breaking in the emergent dipole phase of PbTe
DOI:10.1103/PhysRevB.86.085313  JN:PHYSICAL REVIEW B  PY:2012
  TC:12  AU: Jensen, Kirsten M. O.;Bozin, Emil S.;Malliakas, Christos D.;Stone, Matthew B.;Lumsden, Mark D.;Kanatzidis, Mercouri G.;Shapiro, Stephen M.;Billinge, Simon J. L.;
19:46:7     Direct Evidence of Cation Disorder in Thermoelectric Lead Chalcogenides PbTe and PbS
DOI:10.1002/adfm.201300722  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2013
  TC:17  AU: Kastbjerg, Sofie;Bindzus, Niels;Sondergaard, Martin;Johnsen, Simon;Lock, Nina;Christensen, Mogens;Takata, Masaki;Spackman, Mark A.;Iversen, Bo Brummerstedt;
19:46:8     Lead Is Not Off Center in PbTe: The Importance of r-Space Phase Information in Extended X-Ray Absorption Fine Structure Spectroscopy
DOI:10.1103/PhysRevLett.111.095504  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:8  AU: Keiber, T.;Bridges, F.;Sales, B. C.;
19:46:9     First-Principles Approach to Nonlinear Lattice Dynamics: Anomalous Spectra in PbTe
DOI:10.1103/PhysRevLett.113.105501  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:0  AU: Chen, Yue;Ai, Xinyuan;Marianetti, C. A.;
19:46:10     Slave mode expansion for obtaining ab initio interatomic potentials
DOI:10.1103/PhysRevB.90.014308  JN:PHYSICAL REVIEW B  PY:2014
  TC:1  AU: Ai, Xinyuan;Chen, Yue;Marianetti, Chris A.;
19:46:11     Anomalous Lattice Dynamics near the Ferroelectric Instability in PbTe
DOI:10.1103/PhysRevLett.107.175503  JN:PHYSICAL REVIEW LETTERS  PY:2011
  TC:14  AU: Zhang, Yi;Ke, Xuezhi;Kent, Paul R. C.;Yang, Jihui;Chen, Changfeng;
19:46:12     Complex role for thallium in PbTe: Tl from local probe studies
DOI:10.1103/PhysRevB.87.144104  JN:PHYSICAL REVIEW B  PY:2013
  TC:2  AU: Keiber, T.;Bridges, F.;Sales, B. C.;Wang, H.;
19:46:13     The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework
DOI:10.1021/ja3082457  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:18  AU: Canadillas-Delgado, Laura;Fabelo, Oscar;Alberto Rodriguez-Velamazan, J.;Lemee-Cailleau, Marie-Helene;Mason, Sax A.;Pardo, Emilio;Lloret, Francesc;Zhao, Jiong-Peng;Bu, Xian-He;Simonet, Virginie;Colin, Claire V.;Rodriguez-Carvajal, Juan;
19:46:14     Structure and dynamics of cadmium telluride studied by x-ray and inelastic neutron scattering
DOI:10.1063/1.4895335  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Niedziela, J. L.;Stone, M. B.;
19:46:15     Interface scattering in polycrystalline thermoelectrics
DOI:10.1063/1.4869259  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Popescu, Adrian;Haney, Paul M.;
19:46:16     Effect of Pore Size on Reduction of the Lattice Thermal Conductivity of Nano to Micro-Scale Porous Materials
DOI:10.1007/s11664-014-3168-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Tarkhanyan, Roland H.;Niarchos, Dimitris G.;
19:46:17     Unusual local disorder in NdOs4Sb12 and PrOs4Sb12 skutterudites
DOI:10.1103/PhysRevB.86.174106  JN:PHYSICAL REVIEW B  PY:2012
  TC:2  AU: Keiber, T.;Bridges, F.;Baumbach, R. E.;Maple, M. B.;
19:47:1     New bulk Materials for Thermoelectric Power Generation: Clathrates and Complex Antimonides
DOI:10.1021/cm901591d  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:113  AU: Kleinke, Holger;
19:47:2     Enhanced Thermoelectric Properties of Variants of TI9SbTe6 and TI9BiTe6
DOI:10.1021/cm402593f  JN:CHEMISTRY OF MATERIALS  PY:2013
  TC:10  AU: Guo, Quansheng;Chan, Meghan;Kuropatwa, Bryan A.;Kleinke, Holger;
19:47:3     Improved Bulk Materials with Thermoelectric Figure-of-Merit Greater than 1: Tl10-xSnxTe6 and Tl10-xPbxTe6
DOI:10.1002/aenm.201400348  JN:ADVANCED ENERGY MATERIALS  PY:2014
  TC:0  AU: Guo, Quansheng;Assoud, Abdeljalil;Kleinke, Holger;
19:47:4     Syntheses, crystal structures and thermoelectric properties of two new thallium tellurides: Tl4ZrTe4 and Tl4HfTe4
DOI:10.1039/c0jm01363c  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2010
  TC:11  AU: Sankar, Cheriyedath Raj;Bangarigadu-Sanasy, Savitree;Assoud, Abdeljalil;Kleinke, Holger;
19:47:5     Thermoelectric Properties of TlGdQ(2) (Q = Se, Te) and Tl9GdTe6
DOI:10.1007/s11664-011-1846-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Sankar, Cheriyedath Raj;Bangarigadu-Sanasy, Savitree;Kleinke, Holger;
19:47:6     Structural, Thermal, and Physical Properties of the Thallium Zirconium Telluride Tl2ZrTe3
DOI:10.1021/cm200994t  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:6  AU: Sankar, Cheriyedath Raj;Guch, Mykhailo;Assoud, Abdeljalil;Kleinke, Holger;
19:47:7     Thermoelectric properties of Sn- and Pb-doped Tl9BiTe6 and Tl9SbTe6
DOI:10.1063/1.4901460  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Guo, Quansheng;Chan, Meghan;Kuropatwa, Bryan A.;Kleinke, Holger;
19:47:8     Phase range and physical properties of the thallium tin tellurides Tl10-xSnxTe6 (x <= 2.2)
DOI:10.1016/j.jallcom.2011.03.182  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:7  AU: Kuropatwa, Bryan A.;Assoud, Abdeljalil;Kleinke, Holger;
19:47:9     Thermoelectric properties of Ba8Ga16Ge30 with TiO2 nanoinclusions
DOI:10.1063/1.4748152  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Heijl, R.;Cederkrantz, D.;Nygren, M.;Palmqvist, A. E. C.;
19:47:10     Thermoelectric properties of A(0.05)Mo(3)Sb(5.4)Te(1.6) (A = Mn, Fe, Co, Ni)
DOI:10.1016/j.jallcom.2010.05.124  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:6  AU: Xu, Hong;Kleinke, Katja M.;Holgate, Tim;Rossouw, David;Botton, Gianluigi;Tritt, Terry M.;Kleinke, H.;
19:47:11     Thermoelectric properties of Tl(10-x)Ln(x)Te(6), with Ln = Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho and Er, and 0.25 <= x <= 1.32
DOI:10.1016/j.jallcom.2012.09.023  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:1  AU: Bangarigadu-Sanasy, Savitree;Sankar, Cheriyedath Raj;Schlender, Philipp;Kleinke, Holger;
19:47:12     Effect of heavy doping of nickel in compound Mo3Sb7: Structure and thermoelectric properties
DOI:10.1016/j.jallcom.2013.04.196  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:2  AU: Deng, Xiaolong;Lu, Minfeng;Meng, Jian;
19:47:13     Thermoelectric properties of partly Sb- and Zn-substituted Ba8Ga16Ge30 clathrates
DOI:10.1063/1.3518043  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:5  AU: Cederkrantz, D.;Nygren, M.;Palmqvist, A. E. C.;
19:47:14     Crystal Structure and Physical Properties of the New Antimonide Hf3Cu2Ge3.58Sb1.42
DOI:10.1021/cm102632a  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:3  AU: Guch, Mykhailo;Sankar, Cheriyedath Raj;Assoud, Abdeljalil;Kleinke, Holger;
19:47:15     Reversible Property Switching, Thermoelectric Performance, and d(10)-d(10) Interactions in Ag5Te2Cl
DOI:10.1021/cm100269a  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:19  AU: Nilges, Tom;Osters, Oliver;Bawohl, Melanie;Bobet, Jean-Louis;Chevalier, Bernard;Decourt, Rodolphe;Weihrich, Richard;
19:47:16     Synthesis and thermoelectric properties of Sb0.20CoSb2.80 skutterudite
DOI:10.1016/j.jallcom.2014.01.215  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Figueiredo, C. A.;Gallas, M. R.;Zorzi, J. E.;Perottoni, C. A.;
19:47:17     Extremely Low Thermal Conductivity in Oxides with Cage-Like Crystal Structure
DOI:10.1007/s11664-012-2382-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Ohtaki, Michitaka;Miyaishi, So;
19:47:18     Antimony desinsertion reaction from SbxCoSb3-x
DOI:10.1063/1.3626045  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:2  AU: Miotto, F.;Figueiredo, C. A.;Ramos, G. R.;Amorim, C. L. G.;Gallas, M. R.;Perottoni, C. A.;
19:47:19     Highly Dynamic Chalcogen Chains in Silver(I) (Poly)Chalcogenide Halides: a New Concept for Thermoelectrics?
DOI:10.1007/s11664-009-0987-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:7  AU: Nilges, T.;Bawohl, M.;Lange, S.;Messel, J.;Osters, O.;
19:48:1     Enhancing the Thermoelectric Power Factor with Highly Mismatched Isoelectronic Doping
DOI:10.1103/PhysRevLett.104.016602  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:28  AU: Lee, Joo-Hyoung;Wu, Junqiao;Grossman, Jeffrey C.;
19:48:2     Enhancing thermoelectric properties of semiconductors by heavily doping isoelectronic elements with electronegativities distinct from the host atoms
DOI:10.1016/j.jallcom.2014.01.070  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Yang, X. H.;
19:48:3     First principles study of Seebeck coefficients of doped semiconductors ZnTe1-xFx and ZnTe1-yNy
DOI:10.1063/1.3679569  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:5  AU: Yang, X. H.;
19:48:4     Zintl-phase compounds with SnSb4 tetrahedral anions: Electronic structure and thermoelectric properties
DOI:10.1103/PhysRevB.81.075117  JN:PHYSICAL REVIEW B  PY:2010
  TC:26  AU: Zhang, Lijun;Du, Mao-Hua;Singh, D. J.;
19:48:5     Optimal Bandwidth for High Efficiency Thermoelectrics
DOI:10.1103/PhysRevLett.107.226601  JN:PHYSICAL REVIEW LETTERS  PY:2011
  TC:16  AU: Zhou, Jun;Yang, Ronggui;Chen, Gang;Dresselhaus, Mildred S.;
19:48:6     Doping dependence of thermoelectric performance in Mo3Sb7: First-principles calculations
DOI:10.1103/PhysRevB.83.245111  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: Parker, David;Du, Mao-Hua;Singh, David J.;
19:48:7     Improving the Power Factor and the Role of Impurity Bands
DOI:10.1007/s11664-012-2295-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:5  AU: Goldsmid, H. J.;
19:48:8     Electronic structure and transport properties of doped PbSe
DOI:10.1103/PhysRevB.84.125207  JN:PHYSICAL REVIEW B  PY:2011
  TC:12  AU: Peng, Haowei;Song, Jung-Hwan;Kanatzidis, M. G.;Freeman, Arthur J.;
19:48:9     Electron-dependent thermoelectric properties in Si/Si1-xGex heterostructures and Si1-xGex alloys from first-principles
DOI:10.1063/1.4729765  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:4  AU: Hossain, M. Z.;Johnson, H. T.;
19:48:10     Band structure engineering through orbital interaction for enhanced thermoelectric power factor
DOI:10.1063/1.4866861  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Zhu, Hong;Sun, Wenhao;Armiento, Rickard;Lazic, Predrag;Ceder, Gerbrand;
19:48:11     High thermoelectric power factor in Fe-substituted Mo3Sb7
DOI:10.1063/1.3457920  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:6  AU: Candolfi, C.;Lenoir, B.;Dauscher, A.;Malaman, B.;Guilmeau, E.;Hejtmanek, J.;Tobola, J.;
19:48:12     MOCVD Growth of Erbium Monoantimonide Thin Film and Nanocomposites for Thermoelectrics
DOI:10.1007/s11664-012-2094-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Norris, Kate J.;Lohn, Andrew J.;Onishi, Takehiro;Coleman, Elane;Wong, Vernon;Shakouri, Ali;Tompa, Gary S.;Kobayashi, Nobuhiko P.;
19:48:13     Doping control and thermoelectric properties in R1-xA(x)ZnSbO (R = La, Ce; A = Ca, Sr)
DOI:10.1103/PhysRevB.83.035204  JN:PHYSICAL REVIEW B  PY:2011
  TC:3  AU: Suzuki, T.;Bahramy, M. S.;Arita, R.;Taguchi, Y.;Tokura, Y.;
19:48:14     Thermoelectricity and localized f-band control by dp-hybridization on the Ce1-xCuxSe2 compounds
DOI:10.1063/1.3311558  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:7  AU: Rhyee, Jong-Soo;Cho, Eunseog;Lee, Kyu Hyoung;Lee, Sang Mock;Kim, Hyun-sik;Kwon, Yong Seung;
19:48:15     Impurity Band Effects in Thermoelectric Materials
DOI:10.1007/s11664-012-2108-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Goldsmid, H. J.;
19:49:1     High Performance Thermoelectricity in Earth-Abundant Compounds Based on Natural Mineral Tetrahedrites
DOI:10.1002/aenm.201200650  JN:ADVANCED ENERGY MATERIALS  PY:2013
  TC:40  AU: Lu, Xu;Morelli, Donald T.;Xia, Yi;Zhou, Fei;Ozolins, Vidvuds;Chi, Hang;Zhou, Xiaoyuan;Uher, Ctirad;
19:49:2     First-principles description of anomalously low lattice thermal conductivity in thermoelectric Cu-Sb-Se ternary semiconductors
DOI:10.1103/PhysRevB.85.054306  JN:PHYSICAL REVIEW B  PY:2012
  TC:19  AU: Zhang, Yongsheng;Skoug, Eric;Cain, Jeffrey;Ozolins, Vidvuds;Morelli, Donald;Wolverton, C.;
19:49:3     Role of Lone-Pair Electrons in Producing Minimum Thermal Conductivity in Nitrogen-Group Chalcogenide Compounds
DOI:10.1103/PhysRevLett.107.235901  JN:PHYSICAL REVIEW LETTERS  PY:2011
  TC:20  AU: Skoug, Eric J.;Morelli, Donald T.;
19:49:4     High Thermoelectric Performance in Non-Toxic Earth-Abundant Copper Sulfide
DOI:10.1002/adma.201400515  JN:ADVANCED MATERIALS  PY:2014
  TC:27  AU: He, Ying;Day, Tristan;Zhang, Tiansong;Liu, Huili;Shi, Xun;Chen, Lidong;Snyder, G. Jeffrey;
19:49:5     High-performance thermoelectric mineral Cu12-xNixSb4S13 tetrahedrite
DOI:10.1063/1.4789389  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:26  AU: Suekuni, Koichiro;Tsuruta, Kojiro;Kunii, Masaru;Nishiate, Hirotaka;Nishibori, Eiji;Maki, Sachiko;Ohta, Michihiro;Yamamoto, Atsushi;Koyano, Mikio;
19:49:6     Prediction of New Stable Compounds and Promising Thermoelectrics in the Cu-Sb-Se System
DOI:10.1021/cm5006828  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:6  AU: Zhang, Yongsheng;Ozolins, Vidvuds;Morelli, Donald;Wolverton, C.;
19:49:7     High-performance thermoelectric minerals: Colusites Cu26V2M6S32 (M = Ge, Sn)
DOI:10.1063/1.4896998  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Suekuni, Koichiro;Kim, Fiseong S.;Nishiate, Hirotaka;Ohta, Michihiro;Tanaka, Hiromi I.;Takabatake, Toshiro;
19:49:8     Tunable electronic properties and low thermal conductivity in synthetic colusites Cu26-xZnxV2M6S32 (x <= 4, M = Ge, Sn)
DOI:10.1063/1.4892593  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Suekuni, K.;Kim, F. S.;Takabatake, T.;
19:49:9     Phase Stability and Thermoelectric Properties of CuFeS2-Based Magnetic Semiconductor
DOI:10.1007/s11664-014-3072-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Tsujii, Naohito;Mori, Takao;Isoda, Yukihiro;
19:49:10     Enhanced Thermoelectric Performance of Synthetic Tetrahedrites
DOI:10.1021/cm404026k  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:17  AU: Heo, Jaeseok;Laurita, Geneva;Muir, Sean;Subramanian, M. A.;Keszler, Douglas A.;
19:49:11     High Chalcocite Cu2S: A Solid-Liquid Hybrid Phase
DOI:10.1103/PhysRevLett.108.085703  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:12  AU: Wang, Lin-Wang;
19:49:12     Systematic study of electronic and magnetic properties for Cu12-xTMxSb4S13 (TM=Mn, Fe, Co, Ni, and Zn) tetrahedrite
DOI:10.1063/1.4871265  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:4  AU: Suekuni, K.;Tomizawa, Y.;Ozaki, T.;Koyano, M.;
19:49:13     Low-temperature heat capacity and localized vibrational modes in natural and synthetic tetrahedrites
DOI:10.1063/1.4878676  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:5  AU: Lara-Curzio, E.;May, A. F.;Delaire, O.;McGuire, M. A.;Lu, X.;Liu, Cheng-Yun;Case, E. D.;Morelli, D. T.;
19:49:14     Temperature Dependent Reversible p-n-p Type Conduction Switching with Colossal Change in Thermopower of Semiconducting AgCuS
DOI:10.1021/ja5059185  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:3  AU: Guin, Satya N.;Pan, Jaysree;Bhowmik, Arghya;Sanyal, Dirtha;Waghmare, Umesh V.;Biswas, Kanishka;
19:49:15     The Effect of Te Substitution for Sb on Thermoelectric Properties of Tetrahedrite
DOI:10.1007/s11664-013-2931-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:6  AU: Lu, Xu;Morelli, Donald;
19:50:1     Transport and thermoelectric properties in Copper intercalated TiS2 chalcogenide
DOI:10.1063/1.3621834  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:25  AU: Guilmeau, E.;Breard, Y.;Maignan, A.;
19:50:2     CdI2 structure type as potential thermoelectric materials: Synthesis and high temperature thermoelectric properties of the solid solution TiSxSe2-x
DOI:10.1016/j.jallcom.2012.01.067  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:13  AU: Gascoin, Franck;Raghavendra, Nunna;Guilmeau, Emmanuel;Breard, Yohann;
19:50:3     Thermoelectric properties of Ti1+xS2 prepared by CS2 sulfurization
DOI:10.1016/j.actamat.2012.09.035  JN:ACTA MATERIALIA  PY:2012
  TC:9  AU: Ohta, Michihiro;Satoh, Shuhei;Kuzuya, Toshihiro;Hirai, Shinji;Kunii, Masaru;Yamamoto, Atsushi;
19:50:4     Low lattice thermal conductivity in Pb5Bi6Se14, Pb3Bi2S6, and PbBi2S4: promising thermoelectric materials in the cannizzarite, lillianite, and galenobismuthite homologous series
DOI:10.1039/c4ta05135a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:2  AU: Ohta, Michihiro;Chung, Duck Young;Kunii, Masaru;Kanatzidis, Mercouri G.;
19:50:5     Microstructural Control and Thermoelectric Properties of Misfit Layered Sulfides (LaS)(1+m)TS2 (T = Cr, Nb): The Natural Superlattice Systems
DOI:10.1021/cm5004559  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:4  AU: Jood, Priyanka;Ohta, Michihiro;Nishiate, Hirotaka;Yamamoto, Atsushi;Lebedev, Oleg I.;Berthebaud, David;Suekuni, Koichiro;Kunii, Masaru;
19:50:6     Intercalation: Building a Natural Superlattice for Better Thermoelectric Performance in Layered Chalcogenides
DOI:10.1007/s11664-011-1565-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:21  AU: Wan, Chunlei;Wang, Yifeng;Wang, Ning;Norimatsu, Wataru;Kusunoki, Michiko;Koumoto, Kunihito;
19:50:7     Enhancement of thermoelectric properties by atomic-scale percolation in digenite CuxS
DOI:10.1039/c4ta01250j  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:2  AU: Jiang, Qinghui;Yan, Haixue;Khaliq, Jibran;Shen, Yang;Simpson, Kevin;Reece, M. J.;
19:50:8     Electron doping and phonon scattering in Ti1+xS2 thermoelectric compounds
DOI:10.1016/j.actamat.2014.06.032  JN:ACTA MATERIALIA  PY:2014
  TC:6  AU: Beaumale, M.;Barbier, T.;Breard, Y.;Guelou, G.;Powell, A. V.;Vaqueiro, P.;Guilmeau, E.;
19:50:9     Thermoelectric Properties of Co-Doped TiS2
DOI:10.1007/s11664-010-1474-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:11  AU: Zhang, J.;Qin, X. Y.;Xin, H. X.;Li, D.;Song, C. J.;
19:50:10     Effects of Transition Metal Substitution on the Thermoelectric Properties of Metallic (BiS)(1.2)(TiS2)(2) Misfit Layer Sulfide
DOI:10.1007/s11664-013-2894-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Putri, Yulia Eka;Wan, Chunlei;Dang, Feng;Mori, Takao;Ozawa, Yuto;Norimatsu, Wataru;Kusunoki, Michiko;Koumoto, Kunihito;
19:50:11     Transport, thermoelectric, and magnetic properties of a dense Cr2S3 ceramic
DOI:10.1063/1.4736417  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Maignan, A.;Breard, Y.;Guilmeau, E.;Gascoin, F.;
19:50:12     Effects of alkaline earth doping on the thermoelectric properties of misfit layer sulfides
DOI:10.1016/j.scriptamat.2012.02.010  JN:SCRIPTA MATERIALIA  PY:2012
  TC:7  AU: Putri, Yulia Eka;Wan, Chunlei;Wang, Yifeng;Norimatsu, Wataru;Kusunoki, Michiko;Koumoto, Kunihito;
19:50:13     Superconductivity in the Narrow-Gap Semiconductor CsBi4Te6
DOI:10.1021/ja407530u  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2013
  TC:3  AU: Malliakas, Christos D.;Chung, Duck Young;Claus, Helmut;Kanatzidis, Mercouri G.;
19:50:14     Thermoelectric properties in the series Ti1-xTaxS2
DOI:10.1063/1.4863141  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:6  AU: Beaumale, M.;Barbier, T.;Breard, Y.;Hebert, S.;Kinemuchi, Y.;Guilmeau, E.;
19:50:15     Nanoscale stacking faults induced low thermal conductivity in thermoelectric layered metal sulfides
DOI:10.1063/1.3691887  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:9  AU: Wan, Chunlei;Wang, Yifeng;Norimatsu, Wataru;Kusunoki, Michiko;Koumoto, Kunihito;
19:50:16     Mass Fluctuation Effect in Ti1-x Nb (x) S-2 Bulk Compounds
DOI:10.1007/s11664-013-2802-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:4  AU: Beaumale, M.;Barbier, T.;Breard, Y.;Raveau, B.;Kinemuchi, Y.;Funahashi, R.;Guilmeau, E.;
19:50:17     Origin of high electrical conductivity in alkaline-earth doped LaCoO3
DOI:10.1039/c2jm31965a  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:9  AU: Kozuka, Hisashi;Yamagiwa, Katsuya;Ohbayashi, Kazushige;Koumoto, Kunihito;
19:50:18     Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM(4)Q(6) (M = Bi, Sb; Q = Te, Se), Cs(2)Bi(10)Q(15), and CsBi(5)Q(8)
DOI:10.1021/cm300490v  JN:CHEMISTRY OF MATERIALS  PY:2012
  TC:9  AU: Chung, Duck Young;Uher, Ctirad;Kanatzidis, Mercouri G.;
19:50:19     Electronic structure of TiS2 and its electric transport properties under high pressure
DOI:10.1063/1.3552299  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:2  AU: Liu, Bao;Yang, Jie;Han, Yonghao;Hu, Tingjing;Ren, Wanbin;Liu, Cailong;Ma, Yanzhang;Gao, Chunxiao;
19:50:20     Crystal Structure and Thermoelectric Properties of Misfit-Layered Sulfides [Ln(2)S(2)] (p) NbS2 (Ln = Lanthanides)
DOI:10.1007/s11664-012-2443-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:5  AU: Miyazaki, Yuzuru;Ogawa, Hidenori;Nakajo, Takaki;Kikuchii, Yuta;Hayashi, Kei;
19:50:21     Effect of high pressure on electrical transport in the Li4C60 fulleride polymer from 100 to 400 K
DOI:10.1103/PhysRevB.81.155441  JN:PHYSICAL REVIEW B  PY:2010
  TC:5  AU: Yao, Mingguang;Wagberg, Thomas;Sundqvist, Bertil;
19:50:22     ZrSe3-Type Variant of TiS3: Structure and Thermoelectric Properties
DOI:10.1021/cm502069n  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:4  AU: Guilmeau, Emmanuel;Berthebaud, David;Misse, Patrick R. N.;Hebert, Sylvie;Lebedev, Oleg I.;Chateigner, Daniel;Martin, Christine;Maignan, Antoine;
19:50:23     Magnetoresistance in single crystalline chromium sulfides
DOI:10.1063/1.3552984  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:2  AU: Lee, K. D.;Won, C. J.;Song, K. M.;Hur, N.;
19:50:24     Electronic transport properties of the perovskite-type oxides La1-xSrxCoO3 +/-delta
DOI:10.1039/c2jm34613c  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:6  AU: Kozuka, Hisashi;Yamada, Hideto;Hishida, Tomoko;Yamagiwa, Katsuya;Ohbayashi, Kazushige;Koumoto, Kunihito;
19:51:1     p-type Bi0.4Sb1.6Te3 nanocomposites with enhanced figure of merit
DOI:10.1063/1.3427427  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:41  AU: Fan, Shufen;Zhao, Junnan;Guo, Jun;Yan, Qingyu;Ma, Jan;Hng, Huey Hoon;
19:51:2     Effective scattering cross-section in lattice thermal conductivity calculation with differential effective medium method
DOI:10.1063/1.4818972  JN:AIP ADVANCES  PY:2013
  TC:3  AU: Wu, Di;Petersen, A. S.;Poon, S. J.;
19:51:3     Enhanced thermoelectric performance of a quintuple layer of Bi2Te3
DOI:10.1063/1.4889921  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Zhang, J.;Liu, H. J.;Cheng, L.;Wei, J.;Shi, J.;Tang, X. F.;Uher, C.;
19:51:4     Thermoelectric properties of nanostructured Si1-xGex and potential for further improvement
DOI:10.1063/1.3518579  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:24  AU: Bera, Chandan;Soulier, M.;Navone, C.;Roux, Guilhem;Simon, J.;Volz, S.;Mingo, Natalio;
19:51:5     Thermal conductivity of core-shell nanocomposites for enhancing thermoelectric performance
DOI:10.1063/1.4804150  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:3  AU: Poon, S. J.;Petersen, A. S.;Wu, Di;
19:51:6     Nanostructure model of thermal conductivity for high thermoelectric performance
DOI:10.1063/1.3662947  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:10  AU: Poon, S. J.;Limtragool, K.;
19:51:7     Computational study of energy filtering effects in one-dimensional composite nano-structures
DOI:10.1063/1.3678001  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Kim, Raseong;Lundstrom, Mark S.;
19:51:8     Thermal conductivity and diffusion-mediated localization in Fe1-xCrx alloys from first principles
DOI:10.1103/PhysRevB.84.224309  JN:PHYSICAL REVIEW B  PY:2011
  TC:3  AU: Alam, Aftab;Chouhan, Rajiv K.;Mookerjee, Abhijit;
19:51:9     Thermal conductivity of nanocrystalline SiGe alloys using molecular dynamics simulations
DOI:10.1063/1.4826526  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: da Cruz, Carolina Abs;Katcho, Nebil A.;Mingo, Natalio;Veiga, Roberto G. A.;
19:51:10     Correlation of thermoelectric and microstructural properties of p-type CeFe4Sb12 melt-spun ribbons using a rapid screening method
DOI:10.1063/1.3570690  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:7  AU: Yan, Y. G.;Wong-Ng, W.;Kaduk, J. A.;Tan, G. J.;Xie, W. J.;Tang, X. F.;
19:51:11     Solid Liquid Interdiffusion Bonding of (Pb, Sn) Te Thermoelectric Modules with Cu Electrodes Using a Thin-Film Sn Interlayer
DOI:10.1007/s11664-014-3430-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Chuang, T. H.;Lin, H. J.;Chuang, C. H.;Yeh, W. T.;Hwang, J. D.;Chu, H. S.;
19:52:1     Suppression of phonon heat conduction in cross-section-modulated nanowires
DOI:10.1103/PhysRevB.85.205439  JN:PHYSICAL REVIEW B  PY:2012
  TC:18  AU: Nika, D. L.;Cocemasov, A. I.;Isacova, C. I.;Balandin, A. A.;Fomin, V. M.;Schmidt, O. G.;
19:52:2     Diameter-modulated nanowires as candidates for high thermoelectric energy conversion efficiency
DOI:10.1063/1.3523360  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:30  AU: Zianni, Xanthippi;
19:52:3     Monte Carlo simulations of phonon transport in nanoporous silicon and germanium
DOI:10.1063/1.4861410  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:8  AU: Jean, V.;Fumeron, S.;Termentzidis, K.;Tutashkonko, S.;Lacroix, D.;
19:52:4     Modulated SiC nanowires: Molecular dynamics study of their thermal properties
DOI:10.1103/PhysRevB.87.125410  JN:PHYSICAL REVIEW B  PY:2013
  TC:8  AU: Termentzidis, Konstantinos;Barreteau, Thibaut;Ni, Yuxiang;Merabia, Samy;Zianni, Xanthippi;Chalopin, Yann;Chantrenne, Patrice;Volz, Sebastian;
19:52:5     Scaling behavior of the thermal conductivity of width-modulated nanowires and nanofilms for heat transfer control at the nanoscale
DOI:10.1088/0957-4484/25/46/465402  JN:NANOTECHNOLOGY  PY:2014
  TC:3  AU: Zianni, Xanthippi;Jean, Valentin;Termentzidis, Konstantinos;Lacroix, David;
19:52:6     Thermal conductivity of meso-porous germanium
DOI:10.1063/1.4891196  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Isaiev, M.;Tutashkonko, S.;Jean, V.;Termentzidis, K.;Nychyporuk, T.;Andrusenko, D.;Marty, O.;Burbelo, R. M.;Lacroix, D.;Lysenko, V.;
19:52:7     Thermal Conductivity of Diameter-Modulated Silicon Nanowires Within a Frequency-Dependent Model for Phonon Boundary Scattering
DOI:10.1007/s11664-012-2304-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:7  AU: Zianni, X.;Chantrenne, P.;
19:52:8     Band Structure Engineering in Geometry-Modulated Nanostructures for Thermoelectric Efficiency Enhancement
DOI:10.1007/s11664-014-3125-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Zianni, Xanthippi;
19:52:9     Amorphization and reduction of thermal conductivity in porous silicon by irradiation with swift heavy ions
DOI:10.1063/1.4812280  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:8  AU: Newby, Pascal J.;Canut, Bruno;Bluet, Jean-Marie;Gomes, Severine;Isaiev, Mykola;Burbelo, Roman;Termentzidis, Konstantinos;Chantrenne, Patrice;Frechette, Luc G.;Lysenko, Vladimir;
19:52:10     Fabrication and visible emission of single-crystal diameter-modulated gallium phosphide nanochains
DOI:10.1063/1.3452378  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:7  AU: Fu, Lu-Tang;Chen, Zhi-Gang;Zou, Jin;Cong, Hong-Tao;Lu, Gao-Qing (Max);
19:52:11     Thermally induced Ostwald ripening of mesoporous Ge nanostructures
DOI:10.1063/1.4775576  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Tutashkonko, S.;Nychyporuk, T.;Lysenko, V.;Lemiti, M.;
19:52:12     Lattice Thermal Conductivity in SiC Nanotubes, Nanowires and Nanofilaments: A Molecular Dynamics Study
DOI:10.1166/jctn.2011.1718  JN:JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE  PY:2011
  TC:6  AU: Lyver, John W.;Blaisten-Barojas, Estela;
19:52:13     Seebeck Enhancement Through Miniband Conduction in III-V Semiconductor Superlattices at Low Temperatures
DOI:10.1007/s11664-012-1917-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Bahk, Je-Hyeong;Sadeghian, Ramin Banan;Bian, Zhixi;Shakouri, Ali;
19:52:14     Thermal conductivity of partially amorphous porous silicon by photoacoustic technique
DOI:10.1016/j.matlet.2014.04.105  JN:MATERIALS LETTERS  PY:2014
  TC:1  AU: Isaiev, Mykola;Newby, Pascal J.;Canut, Bruno;Tytarenko, Alona;Lishchuk, Pavlo;Andrusenko, Dmytro;Gomes, Severine;Bluet, Jean-Marie;Frechette, Luc G.;Lysenko, Vladimir;Burbelo, Roman;
19:52:15     Thermoelectric Efficiency of a Quantum Dot in the Single-Electron Transistor Configuration
DOI:10.1007/s11664-009-1033-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:4  AU: Zianni, X.;
19:53:1     Data-Driven Review of Thermoelectric Materials: Performance and Resource Considerations
DOI:10.1021/cm400893e  JN:CHEMISTRY OF MATERIALS  PY:2013
  TC:32  AU: Gaultois, Michael W.;Sparks, Taylor D.;Borg, Christopher K. H.;Seshadri, Ram;Bonificio, William D.;Clarke, David R.;
19:53:2     Ferroelectric-thermoelectricity and Mott transition of ferroelectric oxides with high electronic conductivity
DOI:10.1016/j.jeurceramsoc.2012.06.007  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2012
  TC:24  AU: Lee, Soonil;Bock, Jonathan A.;Trolier-McKinstry, Susan;Randall, Clive A.;
19:53:3     SrxBa1-xNb2O6-delta Ferroelectric-thermoelectrics: Crystal anisotropy, conduction mechanism, and power factor
DOI:10.1063/1.3291563  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:20  AU: Lee, Soonil;Wilke, Rudeger H. T.;Trolier-McKinstry, Susan;Zhang, Shujun;Randall, Clive A.;
19:53:4     Thermoelectric power factor enhancement of textured ferroelectric SrxBa1-x Nb2O6-delta ceramics
DOI:10.1557/jmr.2010.78  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:18  AU: Lee, Soonil;Dursun, Sinan;Duran, Cihangir;Randall, Clive A.;
19:53:5     Polarization-based perturbations to thermopower and electronic conductivity in highly conductive tungsten bronze structured (Sr,Ba)Nb2O6: Relaxors vs normal ferroelectrics
DOI:10.1103/PhysRevB.90.115106  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Bock, Jonathan A.;Trolier-McKinstry, Susan;Mahan, Gerald D.;Randall, Clive A.;
19:53:6     How much improvement in thermoelectric performance can come from reducing thermal conductivity?
DOI:10.1063/1.4869232  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Gaultois, Michael W.;Sparks, Taylor D.;
19:53:7     Structural evolution across the insulator-metal transition in oxygen-deficient BaTiO3-delta studied using neutron total scattering and Rietveld analysis
DOI:10.1103/PhysRevB.84.064125  JN:PHYSICAL REVIEW B  PY:2011
  TC:8  AU: Jeong, I. -K.;Lee, Seunghun;Jeong, Se-Young;Won, C. J.;Hur, N.;Llobet, A.;
19:53:8     Thermoelectric Properties of Reduced Polycrystalline Sr0.5Ba0.5Nb2O6 Fabricated Via Solution Combustion Synthesis
DOI:10.1111/jace.12319  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2013
  TC:2  AU: Dandeneau, Christopher S.;Bodick, Tyler W.;Bordia, Rajendra K.;Ohuchi, Fumio S.;
19:53:9     Site occupancy and cation binding states in reduced polycrystalline SrxBa1-xNb2O6
DOI:10.1063/1.4868243  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Dandeneau, Christopher S.;Yang, YiHsun;Krueger, Benjamin W.;Olmstead, Marjorie A.;Bordia, Rajendra K.;Ohuchi, Fumio S.;
19:53:10     Thermoelectric Properties of Chevrel-Phase Sulfides M-x Mo6S8 (M: Cr, Mn, Fe, Ni)
DOI:10.1007/s11664-009-0975-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:4  AU: Ohta, Michihiro;Yamamoto, Atsushi;Obara, Haruhiko;
19:53:11     The Electrical Conductivity of Strontium-Barium Niobate
DOI:10.1007/s11664-012-2248-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Mahan, G. D.;Sofo, J. O.;
19:53:12     Parallel thermoelectrics
DOI:10.1103/PhysRevB.87.045415  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Mahan, G. D.;
19:53:13     Structural peculiarities and point defects of undoped and Cr- and Ni-doped Sr0.61Ba0.39Nb2O6 crystals
DOI:10.1016/j.actamat.2014.02.012  JN:ACTA MATERIALIA  PY:2014
  TC:1  AU: Kuz'micheva, G. M.;Ivleva, L. I.;Kaurova, I. A.;Rybakov, V. B.;
19:53:14     Preparation of Single-Phase Pb-Filled Chevrel-Phase Sulfide and Its Thermoelectric Properties
DOI:10.2320/matertrans.E-M2011808  JN:MATERIALS TRANSACTIONS  PY:2011
  TC:2  AU: Nishiate, Hirotaka;Ohta, Michihiro;Yamamoto, Atsushi;Obara, Haruhiko;Lee, Chul-Ho;Ueno, Kazuo;
19:54:1:1     Quantum Oscillations in a Two-Dimensional Electron Gas at the Rocksalt/Zincblende Interface of PbTe/CdTe (111) Heterostructures
DOI:10.1021/acs.nanolett.5b01605  JN:NANO LETTERS  PY:2015
  TC:0  AU: Zhang, Bingpo;Lu, Ping;Liu, Henan;Jiao, Lin;Ye, Zhenyu;Jaime, M.;Balakirev, F. F.;Yuan, Huiqiu;Wu, Huizhen;Pan, Wei;Zhang, Yong;
19:54:1:2     Plasmon-enhanced mid-infrared luminescence from polar and lattice-structure-mismatched CdTe/PbTe single heterojunctions
DOI:10.1063/1.4711042  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:5  AU: Cai, Chunfeng;Jin, Shuqiang;Wu, Huizhen;Zhang, Bingpo;Hu, Lian;McCann, P. J.;
19:54:1:3     Phonon blocking by two dimensional electron gas in polar CdTe/PbTe heterojunctions
DOI:10.1063/1.4872168  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Zhang, Bingpo;Cai, Chunfeng;Zhu, He;Wu, Feifei;Ye, Zhenyu;Chen, Yongyue;Li, Ruifeng;Kong, Weiguang;Wu, Huizhen;
19:54:1:4     Two-dimensional electron gas at the metastable twisted interfaces of CdTe/PbTe (111) single heterojunctions
DOI:10.1103/PhysRevB.87.235315  JN:PHYSICAL REVIEW B  PY:2013
  TC:2  AU: Jin, Shuqiang;Cai, Chunfeng;Bi, Gang;Zhang, Bingpo;Wu, Huizhen;Zhang, Yong;
19:54:1:5     Observation of regular defects formed on the surface of PbTe thin films grown by molecular beam epitaxy
DOI:10.1016/j.apsusc.2010.09.039  JN:APPLIED SURFACE SCIENCE  PY:2011
  TC:5  AU: Zhang, Bingpo;Cai, Chunfeng;Hu, Lian;Wei, Xiaodong;Wu, Huizhen;
19:54:1:6     Molecular beam epitaxy and characterizations of PbTe grown on GaAs (211) substrates using CdTe/ZnTe buffers
DOI:10.1016/j.jcrysgro.2015.03.031  JN:JOURNAL OF CRYSTAL GROWTH  PY:2015
  TC:0  AU: Shu, Tianyu;Lu, Pengqi;Zhang, Bingpo;Wang, Miao;Chen, Lu;Fu, Xiangliang;Xu, Gangyi;Wu, Huizhen;
19:54:1:7     Resonant nature of intrinsic defect energy levels in PbTe revealed by infrared photoreflectance spectroscopy
DOI:10.1063/1.4890621  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Zhang, Bingpo;Cai, Chunfeng;Jin, Shuqiang;Ye, Zhenyu;Wu, Huizhen;Qi, Zhen;
19:54:2:1     Near room temperature continuous-wave laser operation from type-I interband transitions at wavelengths beyond 4 mu m
DOI:10.1063/1.3478834  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:14  AU: Eibelhuber, M.;Schwarzl, T.;Pichler, S.;Heiss, W.;Springholz, G.;
19:54:2:2     Continuously tunable monomode mid-infrared vertical external cavity surface emitting laser on Si
DOI:10.1063/1.3501134  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:20  AU: Khiar, A.;Rahim, M.;Fill, M.;Felder, F.;Hobrecker, F.;Zogg, H.;
19:54:2:3     PbSe quantum well mid-infrared vertical external cavity surface emitting laser on Si-substrates
DOI:10.1063/1.3579450  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:16  AU: Fill, M.;Khiar, A.;Rahim, M.;Felder, F.;Zogg, H.;
19:54:2:4     Temperature dependent band offsets in PbSe/PbEuSe quantum well heterostructures
DOI:10.1063/1.4759145  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:1  AU: Simma, M.;Bauer, G.;Springholz, G.;
19:54:2:5     In-well pumped mid-infrared PbTe/CdTe quantum well vertical external cavity surface emitting lasers
DOI:10.1063/1.4882081  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Khiar, A.;Volobuev, V.;Witzan, M.;Hochreiner, A.;Eibelhuber, M.;Springholz, G.;
19:54:2:6     Modular PbSrS/PbS mid-infrared vertical external cavity surface emitting laser on Si
DOI:10.1063/1.3610407  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:3  AU: Khiar, A.;Rahim, M.;Fill, M.;Felder, F.;Zogg, H.;Cao, D.;Kobayashi, S.;Yokoyama, T.;Ishida, A.;
19:54:2:7     2 W high efficiency PbS mid-infrared surface emitting laser
DOI:10.1063/1.36340541  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:9  AU: Ishida, A.;Sugiyama, Y.;Isaji, Y.;Kodama, K.;Takano, Y.;Sakata, H.;Rahim, M.;Khiar, A.;Fill, M.;Felder, F.;Zogg, H.;
19:54:2:8     Reduced auger recombination in mid-infrared semiconductor lasers
DOI:10.1063/1.3646552  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:6  AU: Bedford, Robert G.;Triplett, Gregory;Tomich, David H.;Koch, Stephan W.;Moloney, Jerome;Hader, Joerg;
19:54:3:1     Room temperature mid-infrared surface-emitting photonic crystal laser on silicon
DOI:10.1063/1.3665402  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:9  AU: Weng, Binbin;Ma, Jiangang;Wei, Lai;Li, Lin;Qiu, Jijun;Xu, Jian;Shi, Zhisheng;
19:54:3:2     Responsivity enhancement of mid-infrared PbSe detectors using CaF2 nano-structured antireflective coatings
DOI:10.1063/1.4861186  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:2  AU: Weng, Binbin;Qiu, Jijun;Yuan, Zijian;Larson, Preston R.;Strout, Gregory W.;Shi, Zhisheng;
19:54:3:3     CdS/PbSe heterojunction for high temperature mid-infrared photovoltaic detector applications
DOI:10.1063/1.4869752  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Weng, Binbin;Qiu, Jijun;Zhao, Lihua;Chang, Caleb;Shi, Zhisheng;
19:54:3:4     Study of sensitization process on mid-infrared uncooled PbSe photoconductive detectors leads to high detectivity
DOI:10.1063/1.4794492  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:5  AU: Qiu, Jijun;Weng, Binbin;Yuan, Zijian;Shi, Zhisheng;
19:54:3:5     Elimination of threading dislocations in as-grown PbSe film on patterned Si(111) substrate using molecular beam epitaxy
DOI:10.1063/1.3457863  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:7  AU: Weng, Binbin;Zhao, Fanghai;Ma, Jiangang;Yu, Guangzhe;Xu, Jian;Shi, Zhisheng;
19:54:3:6     Mid-infrared surface-emitting photonic crystal microcavity light emitter on silicon
DOI:10.1063/1.3524239  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:1  AU: Weng, Binbin;Ma, Jiangang;Wei, Lai;Xu, Jian;Bi, Gang;Shi, Zhisheng;
19:54:3:7     A multi-color CdS/ZnSe quantum well photodetector for mid- and long-wavelength infrared detection
DOI:10.1016/j.mssp.2013.12.008  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2014
  TC:3  AU: Sfina, N.;Zeiri, N.;Abdi-Ben Nasrallah, S.;Said, M.;
19:54:4:1     Midinfrared electroluminescence from PbTe/CdTe quantum dot light-emitting diodes
DOI:10.1063/1.3531760  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:12  AU: Hochreiner, A.;Schwarzl, T.;Eibelhuber, M.;Heiss, W.;Springholz, G.;Kolkovsky, V.;Karczewski, G.;Wojtowicz, T.;
19:54:4:2     Real-time observation of nanoscale topological transitions in epitaxial PbTe/CdTe heterostructures
DOI:10.1063/1.4859775  JN:APL MATERIALS  PY:2014
  TC:2  AU: Groiss, H.;Daruka, I.;Koike, K.;Yano, M.;Hesser, G.;Springholz, G.;Zakharov, N.;Werner, P.;Schaeffler, F.;
19:54:4:3     Tuning of mid-infrared emission of ternary PbSrTe/CdTe quantum dots
DOI:10.1063/1.3694286  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:2  AU: Hochreiner, A.;Kriechbaumer, S.;Schwarzl, T.;Groiss, H.;Hassan, M.;Springholz, G.;
19:54:4:4     Self-organization and photoluminescence properties of Pb0.7Sn0.3Te quantum dots embedded in a CdTe matrix
DOI:10.1016/j.jcrysgro.2012.12.091  JN:JOURNAL OF CRYSTAL GROWTH  PY:2013
  TC:1  AU: Koike, Kazuto;Iwamoto, Atsushi;Yano, Mitsuaki;
19:54:5:1     Terahertz radiation due to random grating coupled surface plasmon polaritons
DOI:10.1103/PhysRevB.83.165312  JN:PHYSICAL REVIEW B  PY:2011
  TC:4  AU: Shubina, T. V.;Gippius, N. A.;Shalygin, V. A.;Andrianov, A. V.;Ivanov, S. V.;
19:54:5:2     Terahertz radiation due to random grating coupled surface plasmon polaritons (vol 83, 165312, 2011)
DOI:10.1103/PhysRevB.83.199902  JN:PHYSICAL REVIEW B  PY:2011
  TC:0  AU: Shubina, T. V.;Gippius, N. A.;Shalygin, V. A.;Andrianov, A. V.;Ivanov, S. V.;
19:55:1     Thermoelectric Ceramics for Energy Harvesting
DOI:10.1111/jace.12076  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2013
  TC:47  AU: Koumoto, Kunihito;Funahashi, Ryoji;Guilmeau, Emmanuel;Miyazaki, Yuzuru;Weidenkaff, Anke;Wang, Yifeng;Wan, Chunlei;
19:55:2     Low-temperature sintering and enhanced thermoelectric properties of LaCoO3 ceramics with B2O3-CuO addition
DOI:10.1016/j.jallcom.2012.05.001  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:8  AU: Song, Ying;Sun, Qiu;Lu, Yan;Liu, Xue;Wang, Fuping;
19:55:3     Laser deposition and direct-writing of thermoelectric misfit cobaltite thin films
DOI:10.1063/1.4882423  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Chen, Jikun;Palla-Papavlu, Alexandra;Li, Yulong;Chen, Lidong;Shi, Xun;Dobeli, Max;Stender, Dieter;Populoh, Sascha;Xie, Wenjie;Weidenkaff, Anke;Schneider, Christof W.;Wokaun, Alexander;Lippert, Thomas;
19:55:4     Simulation of Thermoelectric Performance of Bulk SrTiO3 with Two-Dimensional Electron Gas Grain Boundaries
DOI:10.1111/j.1551-2916.2010.03619.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2010
  TC:17  AU: Zhang, Rui-zhi;Wang, Chun-lei;Li, Ji-chao;Koumoto, Kunihito;
19:55:5     Crystal structure, morphology and physical properties of LaCo1-xTixO3 +/-delta perovskites prepared by a citric acid assisted soft chemistry synthesis
DOI:10.1016/j.actamat.2009.09.046  JN:ACTA MATERIALIA  PY:2010
  TC:13  AU: Robert, Rosa;Logvinovich, Dmitry;Aguirre, Myriam H.;Ebbinghaus, Stefan G.;Bocher, Laura;Tomes, Petr;Weidenkaff, Anke;
19:55:6     Structural and thermoelectric characterization of Ba substituted LaCoO3 perovskite-type materials obtained by polymerized gel combustion method
DOI:10.1016/j.jallcom.2013.05.019  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:4  AU: Kun, Robert;Populoh, Sascha;Karvonen, Lassi;Gumbert, Julia;Weidenkaff, Anke;Busse, Matthias;
19:55:7     Synthesis and Characterization of New Ceramic Thermoelectrics Implemented in a Thermoelectric Oxide Module
DOI:10.1007/s11664-010-1214-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:9  AU: Tomes, P.;Robert, R.;Trottmann, M.;Bocher, L.;Aguirre, M. H.;Bitschi, A.;Hejtmanek, J.;Weidenkaff, A.;
19:55:8     Enhanced Thermoelectric Performance of Separately Ni-Doped and Ni/Sr-Codoped LaCoO3 Nanocomposites
DOI:10.1111/j.1551-2916.2012.05332.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2012
  TC:3  AU: Li, Fu;Li, Jing-Feng;
19:55:9     Crystal growth and thermoelectric properties of CaMn0.98Nb0.02O3-delta
DOI:10.1016/j.jcrysgro.2013.05.020  JN:JOURNAL OF CRYSTAL GROWTH  PY:2013
  TC:2  AU: Alfaruq, D. S.;Aguirre, M. H.;Otal, E. H.;Populoh, S.;Karvonen, L.;Yoon, S.;Lu, Y.;Deng, G.;Ebbinghaus, S. G.;Weidenkaff, A.;
19:55:10     Functionalization of Ca2MnO4-delta by controlled calcium extraction: Activation for electrochemical Li intercalation
DOI:10.1016/j.ssi.2014.08.005  JN:SOLID STATE IONICS  PY:2014
  TC:0  AU: Surace, Yuri;Simoes, Mario;Eilertsen, James;Karvonen, Lassi;Pokrant, Simone;Weidenkaff, Anke;
19:55:11     Thermoelectric Response Driven by Spin-State Transition in La1-xCexCoO3 Perovskites
DOI:10.1021/am100243e  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2010
  TC:6  AU: Wang, Yang;Sui, Yu;Wang, Xianjie;Su, Wenhui;Cao, Wenwu;Liu, Xiaoyang;
19:55:12     Grain-Size-Dependent Thermoelectric Properties of SrTiO3 3D Superlattice Ceramics
DOI:10.1007/s11664-012-2324-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Zhang, Rui-zhi;Koumoto, Kunihito;
19:55:13     Nanostructured Nb-substituted CaMnO3 n-type thermoelectric material prepared in a continuous process by ultrasonic spray combustion
DOI:10.1557/jmr.2011.140  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:5  AU: Populoh, Sascha;Trottmann, Matthias;Aguire, Myriam H.;Weidenkaff, Anke;
19:55:14     Effect of coated TiO2 nano-particle on thermoelectric performance of TiC0.5O0.5 Ceramics
DOI:10.1016/j.jallcom.2012.02.176  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:1  AU: Liu, Yong;Ou, Chunlin;Hou, Jungang;Zhu, Hongmin;
19:55:15     Thermoelectric Properties and Conduction Mechanism of CaCu3Ti4O12 Ceramics at High Temperatures
DOI:10.1007/s11664-013-2821-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Zheng, Peng;Zhang, Rui-zhi;Chen, Hao-ying;Hao, Wen-tao;
19:56:1     High temperature Seebeck coefficient metrology
DOI:10.1063/1.3503505  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:55  AU: Martin, J.;Tritt, T.;Uher, C.;
19:56:2     Thermoelectric and mechanical properties of multi-walled carbon nanotube doped Bi0.4Sb1.6Te3 thermoelectric material
DOI:10.1063/1.4834700  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:5  AU: Ren, Fei;Wang, Hsin;Menchhofer, Paul A.;Kiggans, James O.;
19:56:3     Transport Properties of Bulk Thermoelectrics: An International Round-Robin Study, Part II: Thermal Diffusivity, Specific Heat, and Thermal Conductivity
DOI:10.1007/s11664-013-2516-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:35  AU: Wang, Hsin;Porter, Wallace D.;Boettner, Harald;Koenig, Jan;Chen, Lidong;Bai, Shengqiang;Tritt, Terry M.;Mayolet, Alex;Senawiratne, Jayantha;Smith, Charlene;Harris, Fred;Gilbert, Patricia;Sharp, Jeff;Lo, Jason;Kleinke, Holger;Kiss, Laszlo;
19:56:4     Transport Properties of Bulk Thermoelectrics-An International Round-Robin Study, Part I: Seebeck Coefficient and Electrical Resistivity
DOI:10.1007/s11664-012-2396-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:35  AU: Wang, Hsin;Porter, Wallace D.;Boettner, Harald;Koenig, Jan;Chen, Lidong;Bai, Shengqiang;Tritt, Terry M.;Mayolet, Alex;Senawiratne, Jayantha;Smith, Charlene;Harris, Fred;Gilbert, Patricia;Sharp, Jeff W.;Lo, Jason;Kleinke, Holger;Kiss, Laszlo;
19:56:5     High-Temperature Measurement of Seebeck Coefficient and Electrical Conductivity
DOI:10.1007/s11664-012-2404-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:18  AU: de Boor, J.;Stiewe, C.;Ziolkowski, P.;Dasgupta, T.;Karpinski, G.;Lenz, E.;Edler, F.;Mueller, E.;
19:56:6     Development of a Seebeck coefficient Standard Reference Material (TM)
DOI:10.1557/jmr.2011.118  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:14  AU: Lowhorn, Nathan D.;Wong-Ng, Winnie;Lu, Zhan-Qian;Martin, Joshua;Green, Martin L.;Bonevich, John E.;Thomas, Evan L.;Dilley, Neil R.;Sharp, Jeff;
19:56:7     Complete Characterization of Thermoelectric Materials by a Combined van der Pauw Approach
DOI:10.1002/adma.201001654  JN:ADVANCED MATERIALS  PY:2010
  TC:17  AU: de Boor, Johannes;Schmidt, Volker;
19:56:8     Efficient thermoelectric van der Pauw measurements
DOI:10.1063/1.3609325  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:5  AU: de Boor, Johannes;Schmidt, Volker;
19:56:9     Impedance spectroscopy models for the complete characterization of thermoelectric materials
DOI:10.1063/1.4901213  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Garcia-Canadas, Jorge;Min, Gao;
19:56:10     Low Frequency Impedance Spectroscopy Analysis of Thermoelectric Modules
DOI:10.1007/s11664-014-3095-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Garcia-Canadas, Jorge;Min, Gao;
19:56:11     Radiation-Corrected Harman Method for Characterization of Thermoelectric Materials
DOI:10.1002/aenm.201100272  JN:ADVANCED ENERGY MATERIALS  PY:2011
  TC:4  AU: Ao, Xianyu;de Boor, Johannes;Schmidt, Volker;
19:56:12     Structural characterization of Bi2Te3 and Sb2Te3 as a function of temperature using neutron powder diffraction and extended X-ray absorption fine structure techniques
DOI:10.1063/1.4892441  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Mansour, A. N.;Wong-Ng, W.;Huang, Q.;Tang, W.;Thompson, A.;Sharp, J.;
19:56:13     Efficiency Study of a Commercial Thermoelectric Power Generator (TEG) Under Thermal Cycling
DOI:10.1007/s11664-009-0988-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:14  AU: Hatzikraniotis, E.;Zorbas, K. T.;Samaras, I.;Kyratsi, Th.;Paraskevopoulos, K. M.;
19:56:14     Development of a Bi2Te3-based thermoelectric generator with high-aspect ratio, free-standing legs
DOI:10.1557/jmr.2012.27  JN:JOURNAL OF MATERIALS RESEARCH  PY:2012
  TC:6  AU: Wesolowski, D. E.;Goeke, R. S.;Morales, A. M.;Goods, S. H.;Sharma, P. A.;Saavedra, M. P.;Reyes-Gil, K. R.;Neel, W. C. G.;Yang, N. Y. C.;Apblett, C. A.;
19:56:15     Determination of Thermoelectric Module Efficiency: A Survey
DOI:10.1007/s11664-014-3044-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:8  AU: Wang, Hsin;McCarty, Robin;Salvador, James R.;Yamamoto, Atsushi;Koenig, Jan;
19:56:16     Thermocyclic stability of candidate Seebeck coefficient standard reference materials at high temperature
DOI:10.1063/1.4876909  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Martin, Joshua;Winnie Wong-Ng;Caillat, Thierry;Yonenaga, I.;Green, Martin L.;
19:56:17     Measurement of Seebeck Coefficient and Conductive Behaviors of Bi2Te3-xSex (x=0.15-0.6) Thermoelectric Semiconductors without Harmful Dopants
DOI:10.2320/matertrans.MB201301  JN:MATERIALS TRANSACTIONS  PY:2014
  TC:0  AU: Fusa, Mei;Yamamoto, Naoaki;Hasezaki, Kazuhiro;
19:56:18     Electrical contact resistances of thermoelectric thin films measured by Kelvin probe microscopy
DOI:10.1063/1.4826684  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Munoz-Rojo, Miguel;Caballero-Calero, Olga;Martin-Gonzalez, Marisol;
19:56:19     Error Modeling of Seebeck Coefficient Measurements Using Finite-Element Analysis
DOI:10.1007/s11664-012-2212-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Martin, Joshua;
19:56:20     Characterization of the Thermoelectric Behavior of Plastically Deformed Steels
DOI:10.1007/s11664-012-2457-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Demmel, P.;Pazureck, A.;Golle, R.;Volk, W.;Hoffmann, H.;
19:56:21     Preparation of n-Type Bi2Te2.85Se0.15 Thermoelectric Semiconductor without Harmful Dopants
DOI:10.2320/matertrans.ME201108  JN:MATERIALS TRANSACTIONS  PY:2012
  TC:1  AU: Fusa, Mei;Sumida, Natsuki;Hasezaki, Kazuhiro;
19:57:1     Thermal Conductivity of Nanocrystalline Silicon: Importance of Grain Size and Frequency-Dependent Mean Free Paths
DOI:10.1021/nl1045395  JN:NANO LETTERS  PY:2011
  TC:91  AU: Wang, Zhaojie;Alaniz, Joseph E.;Jang, Wanyoung;Garay, Javier E.;Dames, Chris;
19:57:2     Effect of nanostructure on the thermal conductivity of La-doped SrTiO3 ceramics
DOI:10.1016/j.jeurceramsoc.2013.08.009  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2014
  TC:6  AU: Buscaglia, Maria Teresa;Maglia, Filippo;Anselmi-Tamburini, Umberto;Marre, Daniele;Pallecchi, Ilaria;Ianculescu, Adelina;Canu, Giovanna;Viviani, Massimo;Fabrizio, Monica;Buscaglia, Vincenzo;
19:57:3     Thermal conductivity of nano-grained SrTiO3 thin films
DOI:10.1063/1.4769448  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:7  AU: Foley, Brian M.;Brown-Shaklee, Harlan J.;Duda, John C.;Cheaito, Ramez;Gibbons, Brady J.;Medlin, Doug;Ihlefeld, Jon F.;Hopkins, Patrick E.;
19:57:4     Ultralow Thermal Conductivity in Polycrystalline CdSe Thin Films with Controlled Grain Size
DOI:10.1021/nl400531f  JN:NANO LETTERS  PY:2013
  TC:17  AU: Feser, Joseph P.;Chan, Emory M.;Majumdar, Arun;Segalman, Rachel A.;Urban, Jeffrey J.;
19:57:5     Effects of coherent ferroelastic domain walls on the thermal conductivity and Kapitza conductance in bismuth ferrite
DOI:10.1063/1.4798497  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:5  AU: Hopkins, Patrick E.;Adamo, Carolina;Ye, Linghan;Huey, Bryan D.;Lee, Stephen R.;Schlom, Darrell G.;Ihlefeld, Jon F.;
19:57:6     Heavily doped silicon and nickel silicide nanocrystal composite films with enhanced thermoelectric efficiency
DOI:10.1063/1.4823814  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:7  AU: Uchida, Noriyuki;Tada, Tetsuya;Ohishi, Yuji;Miyazaki, Yoshinobu;Kurosaki, Ken;Yamanaka, Shinsuke;
19:57:7     Reduced thermal conductivity in Er-doped epitaxial InxGa1-xSb alloys
DOI:10.1063/1.4820151  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Feser, Joseph P.;Xu, Dongyan;Lu, Hong;Zhao, Yang;Shakouri, Ali;Gossard, Arthur C.;Majumdar, Arun;
19:57:8     Synthesis of silicon and molybdenum-silicide nanocrystal composite films having low thermal conductivity
DOI:10.1016/j.tsf.2013.02.127  JN:THIN SOLID FILMS  PY:2013
  TC:5  AU: Ohishi, Y.;Kurosaki, K.;Suzuki, T.;Muta, H.;Yamanaka, S.;Uchida, N.;Tada, T.;Kanayama, T.;
19:57:9     Stronger silicon for microsystems
DOI:10.1016/j.actamat.2009.09.022  JN:ACTA MATERIALIA  PY:2010
  TC:5  AU: Boyce, B. L.;Shaw, M. J.;Lu, P.;Dugger, M. T.;
19:58:1     Anomalously high thermal conductivity of amorphous Si deposited by hot-wire chemical vapor deposition
DOI:10.1103/PhysRevB.81.104203  JN:PHYSICAL REVIEW B  PY:2010
  TC:20  AU: Yang, Ho-Soon;Cahill, David G.;Liu, X.;Feldman, J. L.;Crandall, R. S.;Sperling, B. A.;Abelson, J. R.;
19:58:2     Thermal conductivity accumulation in amorphous silica and amorphous silicon
DOI:10.1103/PhysRevB.89.144303  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Larkin, Jason M.;McGaughey, Alan J. H.;
19:58:3     Heat transport in amorphous silicon: Interplay between morphology and disorder
DOI:10.1063/1.3574366  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:23  AU: He, Yuping;Donadio, Davide;Galli, Giulia;
19:58:4     Heat transport by long mean free path vibrations in amorphous silicon nitride near room temperature
DOI:10.1103/PhysRevB.87.214305  JN:PHYSICAL REVIEW B  PY:2013
  TC:3  AU: Sultan, Rubina;Avery, A. D.;Underwood, J. M.;Mason, S. J.;Bassett, D.;Zink, B. L.;
19:58:5     Thermal conductivity of ZnO thin film produced by reactive sputtering
DOI:10.1063/1.4706569  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:12  AU: Xu, Yibin;Goto, Masahiro;Kato, Ryozo;Tanaka, Yoshihisa;Kagawa, Yutaka;
19:58:6     Temperature dependent thermal conductivity of polycrystalline ZnO films
DOI:10.1063/1.3330755  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:28  AU: Alvarez-Quintana, J.;Martinez, E.;Perez-Tijerina, E.;Perez-Garcia, S. A.;Rodriguez-Viejo, J.;
19:58:7     Phonons with long mean free paths in a-Si and a-Ge
DOI:10.1063/1.4866799  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Zhan, Tianzhuo;Xu, Yibin;Goto, Masahiro;Tanaka, Yoshihisa;Kato, Ryozo;Sasaki, Michiko;Kagawa, Yutaka;
19:58:8     Calculation of the lattice thermal conductivity in granular crystals
DOI:10.1063/1.4866362  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Kazan, M.;Volz, S.;
19:58:9     Ultrasonic attenuation in amorphous silicon at 50 and 100 GHz
DOI:10.1103/PhysRevB.83.121303  JN:PHYSICAL REVIEW B  PY:2011
  TC:3  AU: Hondongwa, D. B.;Daly, B. C.;Norris, T. B.;Yan, B.;Yang, J.;Guha, S.;
19:58:10     Thermal conductivity of sputtered amorphous Ge films
DOI:10.1063/1.4867122  JN:AIP ADVANCES  PY:2014
  TC:3  AU: Zhan, Tianzhuo;Xu, Yibin;Goto, Masahiro;Tanaka, Yoshihisa;Kato, Ryozo;Sasaki, Michiko;Kagawa, Yutaka;
19:58:11     Effect of structure variation on thermal conductivity of hydrogenated silicon film
DOI:10.1016/j.apsusc.2011.03.107  JN:APPLIED SURFACE SCIENCE  PY:2011
  TC:2  AU: Li, Shibin;Jiang, Yadong;Wu, Zhiming;Wu, Jiang;Ying, Zhihua;Wang, Zhiming;Li, Wei;Salamo, Gregory J.;
19:58:12     Efficiently suppressed thermal conductivity in ZnO thin films via periodic introduction of organic layers
DOI:10.1039/c4ta02381a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:7  AU: Tynell, Tommi;Giri, Ashutosh;Gaskins, John;Hopkins, Patrick E.;Mele, Paolo;Miyazaki, Koji;Karppinen, Maarit;
19:58:13     Influence of Magnetic Domain Walls and Magnetic Field on the Thermal Conductivity of Magnetic Nanowires
DOI:10.1021/nl502577y  JN:NANO LETTERS  PY:2015
  TC:0  AU: Huang, Hao-Ting;Lai, Mei-Feng;Hou, Yun-Fang;Wei, Zung-Hang;
19:58:14     Effect of grain sizes and shapes on phonon thermal conductivity of bulk thermoelectric materials
DOI:10.1063/1.3611421  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:10  AU: Wang, Xingzhe;Yang, Yumei;Zhu, Linli;
19:58:15     Predictive calculation of the lattice thermal conductivity with temperature-dependent vibrational parameters
DOI:10.1063/1.4769429  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Alameh, Z.;Kazan, M.;
19:59:1     Semiconductor nanowires for thermoelectrics
DOI:10.1039/c2jm33899h  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:15  AU: Li, Zhen;Sun, Qiao;Yao, Xiang Dong;Zhu, Zhong Hua;Lu, Gao Qing (Max);
19:59:2     Nanostructures for Thermoelectric Applications: Synthesis, Growth Mechanism, and Property Studies
DOI:10.1002/adma.200903812  JN:ADVANCED MATERIALS  PY:2010
  TC:49  AU: Zhang, Genqiang;Yu, Qingxuan;Wang, Wei;Li, Xiaoguang;
19:59:3     Reduction of Lattice Thermal Conductivity in Single Bi-Te Core/Shell Nanowires with Rough Interface
DOI:10.1002/adma.201101460  JN:ADVANCED MATERIALS  PY:2011
  TC:31  AU: Kang, Joohoon;Roh, Jong Wook;Shim, Wooyoung;Ham, Jinhee;Noh, Jin-Seo;Lee, Wooyoung;
19:59:4     Size-dependent thermal conductivity of individual single-crystalline PbTe nanowires
DOI:10.1063/1.3352049  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:24  AU: Roh, Jong Wook;Jang, So Young;Kang, Joohoon;Lee, Seunghyun;Noh, Jin-Seo;Kim, Woochul;Park, Jeunghee;Lee, Wooyoung;
19:59:5     Thermodynamic-enabled synthesis of Bi/Bi14Te6 axial heterostructure nanowires
DOI:10.1039/c2ta00203e  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:4  AU: Kang, Joohoon;Shim, Wooyoung;Lee, Seunghyun;Roh, Jong Wook;Noh, Jin-Seo;Voorhees, Peter W.;Lee, Wooyoung;
19:59:6     The influence of a Te-depleted surface on the thermoelectric transport properties of Bi2Te3 nanowires
DOI:10.1088/0957-4484/25/36/365401  JN:NANOTECHNOLOGY  PY:2014
  TC:3  AU: Hamdou, Bacel;Beckstedt, Alexander;Kimling, Johannes;Dorn, August;Akinsinde, Lewis;Baessler, Svenja;Pippel, Eckhard;Nielsch, Kornelius;
19:59:7     Watching bismuth nanowires grow
DOI:10.1063/1.3535956  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:10  AU: Ham, Jinhee;Shim, Wooyoung;Kim, Do Hyun;Oh, Kyu Hwan;Voorhees, Peter W.;Lee, Wooyoung;
19:59:8     Programmable synthesis of shape-, structure-, and composition-modulated one-dimensional heterostructures by galvanic displacement reaction
DOI:10.1063/1.4722919  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:5  AU: Jung, Hyunsung;Suh, Hoyoung;Hangarter, Carlos M.;Lim, Jae Hong;Lee, Young-In;Choa, Yong-Ho;Hong, Kimin;Myung, Nosang V.;
19:59:9     Ultra-long bismuth telluride nanoribbons synthesis by lithographically patterned galvanic displacement
DOI:10.1039/c0jm02058c  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2010
  TC:18  AU: Jung, Hyunsung;Rheem, Youngwoo;Chartuprayoon, Nicha;Lim, Jae-Hong;Lee, Kyu-Hwan;Yoo, Bongyoung;Lee, Kun-Jae;Choa, Yong-Ho;Wei, Peng;Shi, Jing;Myung, Nosang V.;
19:59:10     Preparation and electrical transport properties of nanostructured Sb2Se3 films fabricated by combining spin-coating and gas-induced reduction
DOI:10.1007/s11051-013-1541-5  JN:JOURNAL OF NANOPARTICLE RESEARCH  PY:2013
  TC:2  AU: Wang, X.;Cai, K. F.;Shang, F.;Chen, S.;
19:59:11     Stress-induced growth of single-crystalline lead telluride nanowires and their thermoelectric transport properties
DOI:10.1063/1.4813606  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Dedi;Lee, Ping-Chung;Chien, Chia-Hua;Dong, Guang-Ping;Huang, Wei-Chia;Chen, Cheng-Lung;Tseng, Chuan-Ming;Harutyunyan, Sergey R.;Lee, Chih-Hao;Chen, Yang-Yuan;
19:60:1     Enhanced thermoelectric figure-of-merit in spark plasma sintered nanostructured n-type SiGe alloys
DOI:10.1063/1.4768297  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:14  AU: Bathula, Sivaiah;Jayasimhadri, M.;Singh, Nidhi;Srivastava, A. K.;Pulikkotil, Jiji;Dhar, Ajay;Budhani, R. C.;
19:60:2     Thermoelectric and mechanical properties of spark plasma sintered Cu3SbSe3 and Cu3SbSe4: Promising thermoelectric materials
DOI:10.1063/1.4904996  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Tyagi, Kriti;Gahtori, Bhasker;Bathula, Sivaiah;Toutam, Vijaykumar;Sharma, Sakshi;Singh, Niraj Kumar;Dhar, Ajay;
19:60:3     Thermoelectric properties of Cu3SbSe3 with intrinsically ultralow lattice thermal conductivity
DOI:10.1039/c4ta02590c  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:9  AU: Tyagi, Kriti;Gahtori, Bhasker;Bathula, Sivaiah;Srivastava, A. K.;Shukla, A. K.;Auluck, Sushil;Dhar, Ajay;
19:60:4     Structural effects on the lattice thermal conductivity of ternary antimony- and bismuth-containing chalcogenide semiconductors
DOI:10.1063/1.3425886  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:20  AU: Skoug, Eric J.;Cain, Jeffrey D.;Morelli, Donald T.;
19:60:5     Investigation of thermoelectric properties of chalcogenide semiconductors from first principles
DOI:10.1063/1.3597823  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:10  AU: Sevik, C.;Cagin, T.;
19:60:6     Microstructural features and mechanical properties of Al 5083/SiCp metal matrix nanocomposites produced by high energy ball milling and spark plasma sintering
DOI:10.1016/j.msea.2012.02.095  JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES  PY:2012
  TC:25  AU: Bathula, Sivaiah;Anandani, R. C.;Dhar, Ajay;Srivastava, A. K.;
19:60:7     Boron- and phosphorus-doped silicon germanium alloy nanocrystals-Nonthermal plasma synthesis and gas-phase thin film deposition
DOI:10.1063/1.4865158  JN:APL MATERIALS  PY:2014
  TC:2  AU: Rowe, David J.;Kortshagen, Uwe R.;
19:60:8     Elemental tellurium as a chiral p-type thermoelectric material
DOI:10.1103/PhysRevB.89.195206  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Peng, Hua;Kioussis, Nicholas;Snyder, G. Jeffrey;
19:60:9     Band structure and transport studies of copper selenide: An efficient thermoelectric material
DOI:10.1063/1.4900927  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:2  AU: Tyagi, Kriti;Gahtori, Bhasker;Bathula, Sivaiah;Auluck, S.;Dhar, Ajay;
19:60:10     Effect of thermal processing on the microstructure and composition of Cu-Sb-Se compounds
DOI:10.1007/s10853-012-6994-x  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:0  AU: Majsztrik, P. W.;Kirkham, M.;Garcia-Negron, V.;Lara-Curzio, Edgar;Skoug, E. J.;Morelli, D. T.;
19:60:11     New Layered Structures of Cuprous Chalcogenides as Thin Film Solar Cell Materials: Cu2Te and Cu2Se
DOI:10.1103/PhysRevLett.111.165502  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:6  AU: Nguyen, Manh Cuong;Choi, Jin-Ho;Zhao, Xin;Wang, Cai-Zhuang;Zhang, Zhenyu;Ho, Kai-Ming;
19:60:12     High-temperature order/disorder transition in the thermoelectric Cu3SbSe3
DOI:10.1557/jmr.2011.43  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:11  AU: Kirkham, Melanie;Majsztrik, Paul;Skoug, Eric;Morelli, Donald;Wang, Hsin;Porter, Wallace D.;Payzant, E. Andrew;Lara-Curzio, Edgar;
19:61:1     First-principles density functional theory study of native point defects in Bi2Te3
DOI:10.1103/PhysRevB.84.144117  JN:PHYSICAL REVIEW B  PY:2011
  TC:28  AU: Hashibon, Adham;Elsaesser, Christian;
19:61:2     Structure of the (0001) basal twin boundary in Bi2Te3
DOI:10.1063/1.3457902  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:22  AU: Medlin, D. L.;Ramasse, Q. M.;Spataru, C. D.;Yang, N. Y. C.;
19:61:3     Anomalous grain refinement trends during mechanical milling of Bi2Te3
DOI:10.1016/j.actamat.2014.04.032  JN:ACTA MATERIALIA  PY:2014
  TC:3  AU: Humphry-Baker, S. A.;Schuh, C. A.;
19:61:4     Carrier concentration modulation by hot pressing pressure in n-type nanostructured Bi(Se)Te alloy
DOI:10.1063/1.4823801  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Chan, Tsung-ta E.;LeBeau, James M.;Venkatasubramanian, Rama;Thomas, Peter;Stuart, Judy;Koch, Carl C.;
19:61:5     Grain growth and structural relaxation of nanocrystalline Bi2Te3
DOI:10.1063/1.4898320  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Humphry-Baker, Samuel A.;Schuh, Christopher A.;
19:61:6     Switching of the Natural Nanostructure in Bi2Te3 Materials by Ion Irradiation
DOI:10.1002/adma.201201079  JN:ADVANCED MATERIALS  PY:2012
  TC:5  AU: Aabdin, Zainul;Peranio, Nicola;Eibl, Oliver;
19:61:7     Doping and Defect Structure of Tetradymite-Type Crystals
DOI:10.1007/s11664-009-0986-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:12  AU: Drasar, C.;Lostak, P.;Uher, C.;
19:61:8     The nanocrystalline thermoelectric compound Bi2Te3 forms by a particle-wise explosive reaction during mechanical alloying
DOI:10.1016/j.scriptamat.2011.06.014  JN:SCRIPTA MATERIALIA  PY:2011
  TC:6  AU: Humphry-Baker, S. A.;Schuh, C. A.;
19:61:9     Low phonon thermal conductivity of layered (Bi-2)(m)-(Bi2Te3)(n) thermoelectric alloys
DOI:10.1103/PhysRevB.83.235209  JN:PHYSICAL REVIEW B  PY:2011
  TC:4  AU: Sharma, P. A.;Sharma, A. L. Lima;Medlin, D. L.;Morales, A. M.;Yang, N.;Barney, M.;He, J.;Drymiotis, F.;Turner, J.;Tritt, T. M.;
19:61:10     Energetics and diffusion of gold in bismuth telluride-based thermoelectric compounds
DOI:10.1063/1.4865735  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Shaughnessy, M. C.;Bartelt, N. C.;Zimmerman, J. A.;Sugar, J. D.;
19:61:11     In Situ TEM Investigations on Thermoelectric Bi2Te3/Sb2Te3 Multilayers
DOI:10.1002/adem.201100209  JN:ADVANCED ENGINEERING MATERIALS  PY:2012
  TC:2  AU: Schuermann, Ulrich;Winkler, Markus;Koenig, Jan D.;Liu, Xi;Duppel, Viola;Bensch, Wolfgang;Boettner, Harald;Kienle, Lorenz;
19:61:12     A Kinetic Monte Carlo model for material aging: Simulations of second phase formation at Au/Bi2Te3 junction in oxygen environments
DOI:10.1063/1.4868317  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Zhou, X. W.;Yang, N. Y. C.;
19:61:13     Shock-Wave Consolidation of Nanostructured Bismuth Telluride Powders
DOI:10.1007/s11664-011-1878-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Beck, Jan;Alvarado, Manuel;Nemir, David;Nowell, Mathew;Murr, Lawrence;Prasad, Narasimha;
19:62:1     Enhanced thermoelectric response of hole-doped La2NiO4+delta from ab initio calculations
DOI:10.1103/PhysRevB.86.165114  JN:PHYSICAL REVIEW B  PY:2012
  TC:4  AU: Pardo, Victor;Botana, Antia S.;Baldomir, Daniel;
19:62:2     Strain effects to optimize thermoelectric properties of hole-doped La2NiO4+delta via ab initio calculations
DOI:10.1103/PhysRevB.87.125148  JN:PHYSICAL REVIEW B  PY:2013
  TC:5  AU: Pardo, Victor;Botana, Antia S.;Baldomir, Daniel;
19:62:3     Bulk Magnetic Order in a Two-Dimensional Ni1+/Ni2+ (d(9)/d(8)) Nickelate, Isoelectronic with Superconducting Cuprates
DOI:10.1103/PhysRevLett.104.206403  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:14  AU: Poltavets, Viktor V.;Lokshin, Konstantin A.;Nevidomskyy, Andriy H.;Croft, Mark;Tyson, Trevor A.;Hadermann, Joke;Van Tendeloo, Gustaaf;Egami, Takeshi;Kotliar, Gabriel;ApRoberts-Warren, Nicholas;Dioguardi, Adam P.;Curro, Nicholas J.;Greenblatt, Martha;
19:62:4     Quantum Confinement Induced Molecular Correlated Insulating State in La4Ni3O8
DOI:10.1103/PhysRevLett.105.266402  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:12  AU: Pardo, Victor;Pickett, Warren E.;
19:62:5     Pressure-induced metal-insulator and spin-state transition in low-valence layered nickelates
DOI:10.1103/PhysRevB.85.045111  JN:PHYSICAL REVIEW B  PY:2012
  TC:9  AU: Pardo, Victor;Pickett, Warren E.;
19:62:6     Dimensionality-induced insulator-metal crossover in layered nickelates Lan+1NinO2n+2 (n=2, 3, and infinity)
DOI:10.1063/1.4873537  JN:AIP ADVANCES  PY:2014
  TC:0  AU: Liu, Ting;Wu, Hua;Jia, Ting;Zhang, Xiaoli;Zeng, Zhi;Lin, H. Q.;Li, X. G.;
19:62:7     Metal-insulator transition in layered nickelates La3Ni2O7-delta (delta=0.0, 0.5, 1)
DOI:10.1103/PhysRevB.83.245128  JN:PHYSICAL REVIEW B  PY:2011
  TC:3  AU: Pardo, Victor;Pickett, Warren E.;
19:62:8     Critical spin dynamics in the antiferromagnet La4Ni3O8 from La-139 nuclear magnetic resonance
DOI:10.1103/PhysRevB.83.014402  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: ApRoberts-Warren, Nicholas;Dioguardi, Adam P.;Poltavets, Viktor V.;Greenblatt, Martha;Klavins, Peter;Curro, Nicholas J.;
19:62:9     NMR evidence for spin fluctuations in the bilayer nickelate La3Ni2O6
DOI:10.1103/PhysRevB.88.075124  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: ApRoberts-Warren, N.;Crocker, J.;Dioguardi, A. P.;Shirer, K. R.;Poltavets, V. V.;Greenblatt, M.;Klavins, P.;Curro, N. J.;
19:62:10     Pressure Effect on the Structural Transition and Suppression of the High-Spin State in the Triple-Layer T-'-La4Ni3O8
DOI:10.1103/PhysRevLett.108.236403  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:4  AU: Cheng, J. -G.;Zhou, J. -S.;Goodenough, J. B.;Zhou, H. D.;Matsubayashi, K.;Uwatoko, Y.;Kong, P. P.;Jin, C. Q.;Yang, W. G.;Shen, G. Y.;
19:62:11     Electronic and magnetic structures of bilayer La3Ni2O6 and trilayer La4Ni3O8 nickelates from first principles
DOI:10.1103/PhysRevB.84.180411  JN:PHYSICAL REVIEW B  PY:2011
  TC:6  AU: Sarkar, Soumyajit;Dasgupta, I.;Greenblatt, Martha;Saha-Dasgupta, T.;
19:62:12     Strain-induced enhancement of the thermoelectric power in thin films of hole-doped La2NiO4+delta
DOI:10.1063/1.4818356  JN:APL MATERIALS  PY:2013
  TC:1  AU: Bach, P. L.;Vila-Fungueirino, J. M.;Leboran, V.;Ferreiro-Vila, Elias;Rodriguez-Gonzalez, B.;Rivadulla, F.;
19:62:13     Non-one-dimensional behavior in charge-ordered structurally quasi-one-dimensional Sr6Co5O15
DOI:10.1103/PhysRevB.83.184420  JN:PHYSICAL REVIEW B  PY:2011
  TC:4  AU: Botana, A. S.;Botta, P. M.;de la Calle, C.;Pineiro, A.;Pardo, V.;Baldomir, D.;Alonso, J. A.;
19:63:1     Thermoelectric Characterization of Bismuth Telluride Nanowires, Synthesized Via Catalytic Growth and Post-Annealing
DOI:10.1002/adma.201202474  JN:ADVANCED MATERIALS  PY:2013
  TC:28  AU: Hamdou, Bacel;Kimling, Johannes;Dorn, August;Pippel, Eckhard;Rostek, Raimar;Woias, Peter;Nielsch, Kornelius;
19:63:2     Thermoelectric figure of merit calculations for semiconducting nanowires
DOI:10.1063/1.3585659  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:18  AU: Cornett, Jane E.;Rabin, Oded;
19:63:3     Universal scaling relations for the thermoelectric power factor of semiconducting nanostructures
DOI:10.1103/PhysRevB.84.205410  JN:PHYSICAL REVIEW B  PY:2011
  TC:10  AU: Cornett, Jane E.;Rabin, Oded;
19:63:4     Thermoelectric power factor of ternary single-crystalline Sb2Te3- and Bi2Te3-based nanowires
DOI:10.1088/0957-4484/24/49/495402  JN:NANOTECHNOLOGY  PY:2013
  TC:6  AU: Baessler, Svenja;Boehnert, Tim;Gooth, Johannes;Schumacher, Christian;Pippel, Eckhard;Nielsch, Kornelius;
19:63:5     Stoichiometry Controlled, Single-Crystalline Bi2Te3 Nanowires for Transport in the Basal Plane
DOI:10.1002/adfm.201101273  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2012
  TC:21  AU: Peranio, Nicola;Leister, Eva;Toellner, William;Eibl, Oliver;Nielsch, Kornelius;
19:63:6     Fletching-shaped Bi4Te3-ZnTe heterostructure nanowires
DOI:10.1088/0957-4484/25/50/505605  JN:NANOTECHNOLOGY  PY:2014
  TC:0  AU: Song, Man Suk;Kim, Yong;
19:63:7     Nanostructure, Excitations, and Thermoelectric Properties of Bi2Te3-Based Nanomaterials
DOI:10.1007/s11664-012-1997-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Aabdin, Z.;Peranio, N.;Eibl, O.;Toellner, W.;Nielsch, K.;Bessas, D.;Hermann, R. P.;Winkler, M.;Koenig, J.;Boettner, H.;Pacheco, V.;Schmidt, J.;Hashibon, A.;Elsaesser, C.;
19:63:8     Effect of the energy dependence of the carrier scattering time on the thermoelectric power factor of quantum wells and nanowires
DOI:10.1063/1.4729381  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:3  AU: Cornett, Jane E.;Rabin, Oded;
19:63:9     Layer-by-layer deposition of MnSi1.7 film with high Seebeck coefficient and low electrical resistivity
DOI:10.1016/j.matchemphys.2014.03.035  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2014
  TC:0  AU: Hou, Q. R.;Gu, B. F.;Chen, Y. B.;He, Y. J.;Sun, J. L.;
19:63:10     Influence of vapor annealing on the thermoelectric properties of electrodeposited Bi2Te3
DOI:10.1557/jmr.2011.141  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:12  AU: Rostek, Raimar;Sklyarenko, Vladimir;Woias, Peter;
19:63:11     The synthesis of Bi2Te3 nanobelts by vapor-liquid-solid method and their electrical transport properties
DOI:10.1007/s10853-010-5066-3  JN:JOURNAL OF MATERIALS SCIENCE  PY:2011
  TC:7  AU: Wei, Q.;Su, Y.;Yang, C. J.;Liu, Z. G.;Xu, H. N.;Xia, Y. D.;Yin, J.;
19:63:12     Single-Crystalline, Stoichiometric Bi2Te3 Nanowires for Transport in the Basal Plane
DOI:10.1007/s11664-012-1937-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Peranio, N.;Leister, E.;Toellner, W.;Eibl, O.;Nielsch, K.;
19:63:13     The Effect of Annealing in Controlled Vapor Pressure on the Thermoelectric Properties of RF-Sputtered Bi2Te3 Film
DOI:10.1007/s11664-012-1938-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Kim, Hyo-Jung;Yim, Ju-Hyuk;Choi, Won Chel;Park, Chan;Kim, Jin-Sang;
19:63:14     Fabrication of a nanostructure thermal property measurement platform
DOI:10.1088/0957-4484/22/27/275308  JN:NANOTECHNOLOGY  PY:2011
  TC:7  AU: Harris, C. T.;Martinez, J. A.;Shaner, E. A.;Huang, J. Y.;Swartzentruber, B. S.;Sullivan, J. P.;Chen, G.;
19:64:1     Reaction evolution and alternating layer formation in Sn/(Bi0.25Sb0.75)(2)Te-3 and Sn/Sb2Te3 couples
DOI:10.1016/j.jallcom.2012.10.191  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:5  AU: Chen, Sinn-wen;Wu, Hsin-jay;Wu, Chih-yu;Chang, Chun-fei;Chen, Chung-yi;
19:64:2     Evaluation of Diffusion Barrier Between Lead-Free Solder Systems and Thermoelectric Materials
DOI:10.1007/s11664-011-1740-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:16  AU: Lin, T. Y.;Liao, C. N.;Wu, Albert T.;
19:64:3     Fabrication and reliability evaluation of CoSb3/W-Cu thermoelectric element
DOI:10.1016/j.jallcom.2011.12.130  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:12  AU: Zhao, Degang;Geng, Haoran;Teng, Xinying;
19:64:4     Interfacial Reaction Between Nb Foil and n-Type PbTe Thermoelectric Materials During Thermoelectric Contact Fabrication
DOI:10.1007/s11664-014-3350-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Xia, Haiyang;Chen, Cheng-Lung;Drymiotis, Fivos;Wu, Aiping;Chen, Yang-Yuan;Snyder, G. Jeffrey;
19:64:5     Interfacial reaction between n- and p-type thermoelectric materials and SAC305 solders
DOI:10.1016/j.jallcom.2013.05.129  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:3  AU: Zhang, H.;Jing, H. Y.;Han, Y. D.;Xu, L. Y.;Lu, G-Q;
19:64:6     Polarity Effect in a Sn3Ag0.5Cu/Bismuth Telluride Thermoelectric System
DOI:10.1007/s11664-013-2877-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Chien, P. Y.;Yeh, C. H.;Hsu, H. H.;Wu, Albert T.;
19:64:7     Bonding and interfacial reaction between Ni foil and n-type PbTe thermoelectric materials for thermoelectric module applications
DOI:10.1007/s10853-013-7857-9  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:6  AU: Xia, Haiyang;Drymiotis, Fivos;Chen, Cheng-Lung;Wu, Aiping;Snyder, G. Jeffrey;
19:64:8     Effect of antimony on vigorous interfacial reaction of Sn-Sb/Te couples
DOI:10.1016/j.jallcom.2011.02.011  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:2  AU: Lee, Ching-Hua;Chen, Wen-Tai;Liao, Chien-Neng;
19:64:9     Improvement of bonding strength of a (Pb,Sn)Te-Cu contact manufactured in a low temperature SLID-bonding process
DOI:10.1016/j.jallcom.2014.06.020  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Chuang, Tung-Han;Yeh, Wei-Ting;Chuang, Chien-Hsun;Hwang, Jenn-Dong;
19:64:10     Interfacial reactions in Sn/Bi2Te3, Sn/Bi2Se3 and Sn/Bi-2(Te1-xSex)(3) couples
DOI:10.1016/j.jallcom.2014.05.127  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Chen, Sinn-wen;Wu, Chih-yu;Wu, Hsin-jay;Chiu, Wan-ting;
19:64:11     Power Factor Anisotropy of p-Type and n-Type Conductive Thermoelectric Bi-Sb-Te Thin Films
DOI:10.1007/s11664-010-1329-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:5  AU: Rothe, K.;Stordeur, M.;Leipner, H. S.;
19:64:12     Evaluation of Diffusion Barrier Between Pure Sn and Te
DOI:10.1007/s11664-012-2269-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Ko, Chang-Yen;Wu, Albert T.;
19:64:13     Interfacial Reactions Between Diffusion Barriers and Thermoelectric Materials Under Current Stressing
DOI:10.1007/s11664-012-2275-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Lo, Li-Chen;Wu, Albert T.;
19:64:14     Effect of Ag addition in Sn on growth of SnTe compound during reaction between molten solder and tellurium
DOI:10.1557/JMR.2010.0040  JN:JOURNAL OF MATERIALS RESEARCH  PY:2010
  TC:7  AU: Liao, Chien-Neng;Huang, Yen-Chun;
19:64:15     Thermoelectric properties of n-type CoSb3 fabricated with high pressure sintering
DOI:10.1016/j.jallcom.2010.05.039  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:2  AU: Zhang, Jianjun;Xu, Bo;Yu, Fengrong;Yu, Dongli;Liu, Zhongyuan;He, Julong;Tian, Yongjun;
19:64:16     Structural, morphological and optical properties of Bi2-xSbxSe3 thin films grown by electrodeposition
DOI:10.1016/j.jallcom.2010.10.165  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:13  AU: Sisman, Ilkay;Bicer, Mustafa;
19:64:17     Polarity effect on interfacial reactions at soldered junctions of electrically stressed thermoelectric modules
DOI:10.1063/1.3525930  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:4  AU: Liao, Chien-Neng;Chen, Wen-Tai;Lee, Ching-Hua;
19:64:18     Thermoelectric transport properties of Bi-Te based thin films on strained polyimide substrates
DOI:10.1063/1.4897302  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Chen, Pei-Ju;Liao, Chien-Neng;
19:64:19     Diffusion Soldering of Pb-Doped GeTe Thermoelectric Modules with Cu Electrodes Using a Thin-Film Sn Interlayer
DOI:10.1007/s11664-012-2345-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Yang, C. L.;Lai, H. J.;Hwang, J. D.;Chuang, T. H.;
19:64:20     Enhanced thermoelectric properties of metal film on bismuth telluride-based materials
DOI:10.1016/j.tsf.2014.04.025  JN:THIN SOLID FILMS  PY:2014
  TC:0  AU: Chao, Wen Hsuan;Chen, Yi Ray;Tseng, Shih Chun;Yang, Ping Hsing;Wu, Ren Jye;Hwang, Jenn Yeu;
19:64:21     Structural stability of thermoelectric diffusion barriers: Experimental results and first principles calculations
DOI:10.1063/1.4817511  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Hsu, Hsiao-Hsuan;Cheng, Chun-Hu;Lin, Yu-Li;Chiou, Shan-Haw;Huang, Chiung-Hui;Cheng, Chin-Pao;
19:65:1     Diameter Dependence of the Transport Properties of Antimony Telluride Nanowires
DOI:10.1021/nl101505q  JN:NANO LETTERS  PY:2010
  TC:49  AU: Zuev, Yuri M.;Lee, Jin Seok;Galloy, Clement;Park, Hongkun;Kim, Philip;
19:65:2     Enhancement of thermoelectric properties induced by oriented nanolayer in Bi2Te2.7Se0.3 columnar films
DOI:10.1016/j.matchemphys.2014.03.014  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2014
  TC:1  AU: Tan, Ming;Deng, Yuan;Hao, Yanming;
19:65:3     Ordered structure and high thermoelectric properties of Bi-2(Te,Se)(3) nanowire array
DOI:10.1016/j.nanoen.2013.07.009  JN:NANO ENERGY  PY:2014
  TC:9  AU: Tan, Ming;Deng, Yuan;Wang, Yao;
19:65:4     Improvement of Thermoelectric Properties in (Bi0.5Sb0.5)(2)Te-3 Films of Nanolayered Pillar Arrays
DOI:10.1007/s11664-014-3264-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Tan, Ming;Hao, Yanming;Ren, Xiaobin;
19:65:5     Unique hierarchical structure and high thermoelectric properties of antimony telluride pillar arrays
DOI:10.1007/s11051-012-1204-y  JN:JOURNAL OF NANOPARTICLE RESEARCH  PY:2012
  TC:11  AU: Tan, Ming;Deng, Yuan;Wang, Yao;
19:65:6     Optimizations of Pulsed Plated p and n-type Bi2Te3-Based Ternary Compounds by Annealing in Different Ambient Atmospheres
DOI:10.1002/aenm.201200417  JN:ADVANCED ENERGY MATERIALS  PY:2013
  TC:13  AU: Schumacher, Christian;Reinsberg, Klaus G.;Rostek, Raimar;Akinsinde, Lewis;Baessler, Svenja;Zastrow, Sebastian;Rampelberg, Geert;Woias, Peter;Detavernier, Christophe;Broekaert, Jose A. C.;Bachmann, Julien;Nielsch, Kornelius;
19:65:7     Disordered stoichiometric nanorods and ordered off-stoichiometric nanoparticles in n-type thermoelectric Bi2Te2.7Se0.3
DOI:10.1063/1.4759285  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Carlton, Chris E.;Kuryak, Chris A.;Liu, Wei-shu;Ren, Zhifeng;Chen, Gang;Shao-Horn, Yang;
19:65:8     In Situ Precipitation of Te Nanoparticles in p-Type BiSbTe and the Effect on Thermoelectric Performance
DOI:10.1021/am303145v  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2013
  TC:8  AU: Zhang, Ting;Jiang, Jun;Xiao, Yukun;Zhai, Yongbiao;Yang, Shenghui;Xu, Gaojie;
19:65:9     Measurement of Seebeck coefficient of electroplated thermoelectric films in presence of a seed layer
DOI:10.1557/jmr.2011.83  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:7  AU: Nguyen, Hai P.;Su, Jiale;Wang, Ziyang;Vullers, Ruud J. M.;Vereecken, Philippe M.;Fransaer, Jan;
19:65:10     Low temperature synthesized thermoelectric Sb2Te3 irregular nanoflakes
DOI:10.1016/j.matlet.2012.01.087  JN:MATERIALS LETTERS  PY:2012
  TC:3  AU: Srivastava, Punita;Singh, Kedar;
19:66:1     Influence of Yb-doping on the thermoelectric properties of Pb1-xYbxTe alloy synthesized using solid-state microwave
DOI:10.1016/j.jallcom.2011.12.044  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:20  AU: Hmood, A.;Kadhim, A.;Abu Hassan, H.;
19:66:2     Growth and opto-electro-structural properties of nanocrystalline PbSe thin films
DOI:10.1016/j.tsf.2014.01.057  JN:THIN SOLID FILMS  PY:2014
  TC:2  AU: Ali, H. M.;Saleh, S. A.;
19:66:3     Thermoelectric Generators Using p-Pb0.925Yb0.075Te:Te and n-Pb0.925Yb0.075Se0.2Te0.8 Thin Films Prepared by the Thermal Evaporation Method
DOI:10.1007/s11664-013-2542-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Hmood, A.;Kadhim, A.;Hassan, J. J.;Abu Hassan, H.;
19:66:4     Thin-Film Thermoelectric Module for Power Generator Applications Using a Screen-Printing Method
DOI:10.1007/s11664-010-1481-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:17  AU: Lee, Heon-Bok;Yang, Hyun Jeong;We, Ju Hyung;Kim, Kukjoo;Choi, Kyung Cheol;Cho, Byung Jin;
19:66:5     Enhancement of electrical transport through the anisotropic nanostructure performance of heavily Yb-doped PbSe0.2Te0.8 thin films
DOI:10.1016/j.matchemphys.2012.08.069  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2012
  TC:6  AU: Hmood, A.;Kadhim, A.;Abu Hassan, H.;
19:66:6     Fabrication and characterization of Pb1-xYbxTe-based alloy thin-film thermoelectric generators grown by thermal evaporation technique
DOI:10.1016/j.mssp.2012.11.006  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2013
  TC:4  AU: Hmood, A.;Kadhim, A.;Abu Hassan, H.;
19:66:7     Enhancement of the power factor of Pb1-xSnxTe (0.00 >= x >= 0.08) alloys
DOI:10.1080/14786435.2014.933907  JN:PHILOSOPHICAL MAGAZINE  PY:2014
  TC:0  AU: Saleh, S. A.;
19:66:8     Preparations and characterizations of polycrystalline PbSe thin films by a thermal reduction method
DOI:10.1016/j.jallcom.2011.03.100  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:12  AU: Ma, D. W.;Cheng, C.;
19:66:9     Synthesis and Characterization of p-Type Pb0.5Sn0.5Te Thermoelectric Power Generation Elements by Mechanical Alloying
DOI:10.1007/s11664-009-0989-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:7  AU: Lalonde, Aaron D.;Moran, Peter D.;
19:66:10     XAFS studies of ytterbium doped lead-telluride
DOI:10.1016/j.jallcom.2010.04.068  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:11  AU: Radisavljevic, I.;Novakovic, N.;Romcevic, N.;Manasijevic, M.;Mahnke, H. -E.;Ivanovic, N.;
19:66:11     Hydrothermal synthesis and characterization of novel PbSe dendritic structures
DOI:10.1016/j.jallcom.2009.12.102  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:5  AU: Lv, Weizhong;Wang, Xiaofeng;Qiu, Qi;Wang, Fang;Luo, Zhongkuan;Weng, Wenjian;
19:66:12     The effect of substrate bias voltage on PbTe films deposited by magnetron sputtering
DOI:10.1016/j.jallcom.2011.03.019  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:4  AU: Ren, Wei;Cao, Wentian;Wang, Shuyun;Sui, Mingxiao;Lu, Huifen;
19:66:13     Optical and photoconductive properties of Pb0.9Sn0.1Se nano-structured thin films deposited by thermal vacuum evaporation and pulsed laser deposition
DOI:10.1016/j.jallcom.2011.11.100  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:5  AU: Gad, Sara;Rafea, M. Abdel;Badr, Yehia;
19:66:14     Increase in the thermoelectric power produced by mechanically alloyed Pb1-xSnx Te due to the presence of 15 nm SnO2 inclusions
DOI:10.1063/1.3651173  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:1  AU: Krishna, Lakshmi;LaLonde, Aaron D.;Moran, P. D.;
19:66:15     Optical properties of PbTe doped with Nd
DOI:10.1007/s10853-010-4670-6  JN:JOURNAL OF MATERIALS SCIENCE  PY:2010
  TC:5  AU: Nikolic, M. V.;Paraskevopoulos, K. M.;Ivetic, T.;Zorba, T. T.;Vujatovic, S. S.;Pavlidou, E.;Blagojevic, V.;Bojicic, A.;Aleksic, O. S.;Nikolic, N.;Koenig, W.;Nikolic, P. M.;
19:66:16     Investigations on the properties of solid solutions of pseudo-binary lead chalcogenides
DOI:10.1016/j.jallcom.2010.05.113  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:4  AU: Kumar, Sushil;Lal, Bhajan;Rohilla, Sunil;Aghamkar, P.;Husain, M.;
19:66:17     Thermoelectric power factor of RuSr2GdCu2O8
DOI:10.1080/14786435.2010.529091  JN:PHILOSOPHICAL MAGAZINE  PY:2011
  TC:2  AU: Saleh, S. A.;Ibrahim, E. M. M.;
19:66:18     Simultaneous measurement of the Seebeck coefficient and thermal conductivity in the cross-sectional direction of thermoelectric thick film
DOI:10.1063/1.4766911  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Kim, Sun Jin;We, Ju Hyung;Kim, Gyung Soo;Cho, Byung Jin;
19:66:19     Synthesis of PbSe/SiO2 and PbTe/SiO2 nanocomposites using the sol-gel process
DOI:10.1016/j.matchemphys.2010.05.018  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2010
  TC:3  AU: Bajaj, Prashant;Woodruff, Elvin;Moore, Joshua T.;
19:67:1     Suppression of grain growth by additive in nanostructured p-type bismuth antimony tellurides
DOI:10.1016/j.nanoen.2011.10.006  JN:NANO ENERGY  PY:2012
  TC:26  AU: Zhang, Qian;Zhang, Qinyong;Chen, Shuo;Liu, Weishu;Lukas, Kevin;Yan, Xiao;Wang, Hengzhi;Wang, Dezhi;Opeil, Cyril;Chen, Gang;Ren, Zhifeng;
19:67:2     Effect of Suppression of Grain Growth of Hot Extruded (Bi0.2Sb0.8)(2)Te-3 Thermoelectric Alloys by MoS2 Nanoparticles
DOI:10.1007/s11664-014-3019-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Keshavarz, Mohsen K.;Vasilevskiy, Dimitri;Masut, Remo A.;Turenne, Sylvain;
19:67:3     Lattice Thermal Conductivity Reduction Due to In Situ-Generated Nano-Phase in Bi0.4Sb1.6Te3 Alloys by Microwave-Activated Hot Pressing
DOI:10.1007/s11664-014-3339-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Yang, Fan;Fan, Xi An;Rong, Zhen Zhou;Cai, Xin Zhi;Li, Guang Qiang;
19:67:4     Synthesis and characterization of bismuth telluride-based thermoelectric nanocomposites containing MoS2 nano-inclusions
DOI:10.1016/j.matchar.2014.05.011  JN:MATERIALS CHARACTERIZATION  PY:2014
  TC:1  AU: Keshavarz, Mohsen K.;Vasilevskiy, Dimitri;Masut, Remo A.;Turenne, Sylvain;
19:67:5     A comparative study of Spark Plasma Sintering (SPS), Hot Isostatic Pressing (HIP) and microwaves sintering techniques on p-type Bi2Te3 thermoelectric properties
DOI:10.1016/j.materresbull.2012.04.019  JN:MATERIALS RESEARCH BULLETIN  PY:2012
  TC:13  AU: Delaizir, G.;Bernard-Granger, G.;Monnier, J.;Grodzki, R.;Kim-Hak, O.;Szkutnik, P. -D.;Soulier, M.;Saunier, S.;Goeuriot, D.;Rouleau, O.;Simon, J.;Godart, C.;Navone, C.;
19:67:6     Thermal Conductivity Reduction in CoSb3-CeO2 Nanocomposites
DOI:10.1007/s11664-009-1043-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:13  AU: Alleno, E.;Chen, L.;Chubilleau, C.;Lenoir, B.;Rouleau, O.;Trichet, M. F.;Villeroy, B.;
19:67:7     p-Type Bismuth Telluride-Based Composite Thermoelectric Materials Produced by Mechanical Alloying and Hot Extrusion
DOI:10.1007/s11664-012-2284-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:8  AU: Keshavarz, M. K.;Vasilevskiy, D.;Masut, R. A.;Turenne, S.;
19:67:8     Microstructure and transport properties of copper-doped p-type BiSbTe alloy prepared by mechanical alloying and subsequent spark plasma sintering
DOI:10.1016/j.jallcom.2013.05.228  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:7  AU: Li, Huayi;Jing, Hongyang;Han, Yongdian;Xu, Yachen;Lu, Guo-Quan;Xu, Lianyong;
19:67:9     Suppression of grain growth in nanocrystalline Bi2Te3 through oxide particle dispersions
DOI:10.1063/1.4901235  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Humphry-Baker, Samuel A.;Schuh, Christopher A.;
19:67:10     Microwave activated hot pressing: A new consolidation technique and its application to fine crystal bismuth telluride based compounds
DOI:10.1016/j.powtec.2014.07.022  JN:POWDER TECHNOLOGY  PY:2014
  TC:1  AU: Rong, Zhenzhou;Fan, Xi'an;Yang, Fan;Cal, Xinzhi;Li, Guangqiang;
19:67:11     Microwave sintering and thermoelectric properties of p-type (Bi0.2Sb0.8)(2)Te-3 powder
DOI:10.1016/j.powtec.2012.04.051  JN:POWDER TECHNOLOGY  PY:2012
  TC:7  AU: Kim-Hak, Olivier;Soulier, Mathieu;Szkutnik, Pierre-David;Saunier, Sebastien;Simon, Julia;Goeuriot, Dominique;
19:67:12     Preparation and characterization of bulk composite constructed of Bi2Te3@SiO2 nanoparticles
DOI:10.1016/j.jallcom.2013.10.090  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Ivanov, Oleg;Maradudina, Oxana;Lyubushkin, Roman;
19:67:13     Effect of Nanostructuring on the Thermoelectric Properties of Co0.97Pd0.03Sb3
DOI:10.1007/s11664-012-2447-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Alleno, E.;Gaborit, M.;Ohorodniichuk, V.;Lenoir, B.;Rouleau, O.;
19:68:1     Analysis of the thermoelectric properties of n-type ZnO
DOI:10.1103/PhysRevB.83.115110  JN:PHYSICAL REVIEW B  PY:2011
  TC:54  AU: Ong, Khuong P.;Singh, David J.;Wu, Ping;
19:68:2     Thermoelectric properties of a single graphene sheet and its derivatives
DOI:10.1039/c3tc32260b  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2014
  TC:8  AU: Reshak, A. H.;Khan, Saleem Ayaz;Auluck, S.;
19:68:3     Thermoelectric properties of chalcopyrite type CuGaTe2 and chalcostibite CuSbS2
DOI:10.1063/1.4842095  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:7  AU: Gudelli, Vijay Kumar;Kanchana, V.;Vaitheeswaran, G.;Svane, A.;Christensen, N. E.;
19:68:4     Unusual Transport and Strongly Anisotropic Thermopower in PtCoO2 and PdCoO2
DOI:10.1103/PhysRevLett.104.176601  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:20  AU: Ong, Khuong P.;Singh, David J.;Wu, Ping;
19:68:5     Temperature dependent thermoelectric properties of chemically derived gallium zinc oxide thin films
DOI:10.1039/c3tc30215f  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2013
  TC:3  AU: Barasheed, Abeer Z.;Kumar, S. R. Sarath;Alshareef, H. N.;
19:68:6     Transport properties of hole-doped CuBiS2
DOI:10.1103/PhysRevB.83.233206  JN:PHYSICAL REVIEW B  PY:2011
  TC:4  AU: Parker, David;Singh, David J.;
19:68:7     Ultrahigh thermoelectricity of atomically thick Bi2Se3 single layers: A computational study
DOI:10.1016/j.apsusc.2014.09.191  JN:APPLIED SURFACE SCIENCE  PY:2014
  TC:0  AU: Guo, Donglin;Hu, Chenguo;
19:68:8     Electronic structure and thermoelectric properties of In32-xGexO48 (x=0, 1, 2, and 3) at low temperature
DOI:10.1063/1.3529489  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:2  AU: Yan, Yu Li;Wang, Yuan Xu;
19:68:9     Thermoelectric properties of LaFeAsO1-y at low temperature
DOI:10.1063/1.3466990  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:5  AU: Kihou, K.;Lee, C. H.;Miyazawa, K.;Shirage, P. M.;Iyo, A.;Eisaki, H.;
19:68:10     First-principles study on doping and temperature dependence of thermoelectric property of Bi2S3 thermoelectric material
DOI:10.1016/j.materresbull.2013.02.004  JN:MATERIALS RESEARCH BULLETIN  PY:2013
  TC:5  AU: Guo, Donglin;Hu, Chenguo;Zhang, Cuiling;
19:69:1     Chemically driven carbon-nanotube-guided thermopower waves
DOI:10.1038/nmat2714  JN:NATURE MATERIALS  PY:2010
  TC:51  AU: Choi, Wonjoon;Hong, Seunghyun;Abrahamson, Joel T.;Han, Jae-Hee;Song, Changsik;Nair, Nitish;Baik, Seunghyun;Strano, Michael S.;
19:69:2     Advanced Thermopower Wave in Novel ZnO Nanostructures/Fuel Composite
DOI:10.1021/am504507w  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:8  AU: Lee, Kang Yeol;Hwang, Hayoung;Choi, Wonjoon;
19:69:3     Enhanced thermoelectric properties of tungsten disulfide-multiwalled carbon nanotube composites
DOI:10.1039/c2jm34510b  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:8  AU: Suh, Daewoo;Lee, Dongmok;Kang, Chanyoung;Shon, In-Jin;Kim, Woochul;Baik, Seunghyun;
19:69:4     Oscillatory Thermopower Waves Based on Bi2Te3 Films
DOI:10.1002/adfm.201001979  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2011
  TC:26  AU: Walia, Sumeet;Weber, Rodney;Latham, Kay;Petersen, Phred;Abrahamson, Joel T.;Strano, Michael S.;Kalantar-zadeh, Kourosh;
19:69:5     Excess Thermopower and the Theory of Thermopower Waves
DOI:10.1021/nn402411k  JN:ACS NANO  PY:2013
  TC:9  AU: Abrahamson, Joel T.;Sempere, Bernat;Walsh, Michael P.;Forman, Jared M.;Sen, Fatih;Sen, Selda;Mahajan, Sayalee G.;Paulus, Geraldine L. C.;Wang, Qing Hua;Choi, Wonjoon;Strano, Michael S.;
19:69:6     Wavefront Velocity Oscillations of Carbon-Nanotube-Guided Thermopower Waves: Nanoscale Alternating Current Sources
DOI:10.1021/nn101618y  JN:ACS NANO  PY:2011
  TC:22  AU: Abrahamson, Joel T.;Choi, Wonjoon;Schonenbach, Nicole S.;Park, Jungsik;Han, Jae-Hee;Walsh, Michael P.;Kalantar-zadeh, Kourosh;Strano, Michael S.;
19:69:7     Enhanced n-type thermopower in distortion-free LiMn2O4
DOI:10.1039/c2jm16297k  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:6  AU: Sparks, Taylor D.;Gurlo, Aleksander;Clarke, David R.;
19:69:8     Effects of chemical fuel composition on energy generation from thermopower waves
DOI:10.1088/0957-4484/25/44/445403  JN:NANOTECHNOLOGY  PY:2014
  TC:3  AU: Yeo, Taehan;Hwang, Hayoung;Jeong, Dong-Cheol;Lee, Kang Yeol;Hong, Jongsup;Song, Changsik;Choi, Wonjoon;
19:69:9     Synthesis and Energy Release of Nitrobenzene-Functionalized Single-Walled Carbon Nanotubes
DOI:10.1021/cm201947y  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:12  AU: Abrahamson, Joel T.;Song, Changsik;Hu, Jenny H.;Forman, Jared M.;Mahajan, Sayalee G.;Nair, Nitish;Choi, Wonjoon;Lee, Eun-Ji;Strano, Michael S.;
19:69:10     Visualizing Individual Carbon Nanotubes with Optical Microscopy
DOI:10.1021/ja503821s  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:1  AU: Novak, Michael A.;Surwade, Sumedh;Prokop, Jason;Bolotin, Kirill;Hone, James;Brus, Louis;Nuckolls, Colin;Liu, Haitao;
19:69:11     Properties and consolidation of nanocrystalline WSi2-SiC composite from mechanically activated powders by pulsed current activated combustion synthesis
DOI:10.1016/j.ceramint.2011.01.029  JN:CERAMICS INTERNATIONAL  PY:2011
  TC:5  AU: Shon, In-Jin;Park, Jeong-Hwan;Ko, In-Yong;Doh, Jung-Mann;Yoon, Jin-Kook;Nam, Kee-Seok;
19:69:12     Decomposition of Condensed Phase Energetic Materials: Interplay between Uni- and Bimolecular Mechanisms
DOI:10.1021/ja410020f  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:11  AU: Furman, David;Kosloff, Ronnie;Dubnikova, Faina;Zybin, Sergey V.;Goddard, William A., III;Rom, Naomi;Hirshberg, Barak;Zeiri, Yehuda;
19:69:13     Effect of Polar Surfaces on Decomposition of Molecular Materials
DOI:10.1021/ja506297e  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:1  AU: Kuklja, Maija M.;Tsyshevsky, Roman V.;Sharia, Onise;
19:69:14     CARBON NANOTUBES An explosive thrust for nanotubes
DOI:10.1038/nmat2759  JN:NATURE MATERIALS  PY:2010
  TC:3  AU: Aliev, Ali E.;Baughman, Ray H.;
19:69:15     Resonant behavior in heat transfer across weak molecular interfaces
DOI:10.1063/1.4851035  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Sklan, Sophia R.;Greaney, P. Alex;Grossman, Jeffrey C.;
19:70:1     Influence of strain on anisotropic thermoelectric transport in Bi2Te3 and Sb2Te3
DOI:10.1103/PhysRevB.84.165214  JN:PHYSICAL REVIEW B  PY:2011
  TC:19  AU: Hinsche, N. F.;Yavorsky, B. Yu.;Mertig, I.;Zahn, P.;
19:70:2     Thermoelectric transport in Bi2Te3/Sb2Te3 superlattices
DOI:10.1103/PhysRevB.86.085323  JN:PHYSICAL REVIEW B  PY:2012
  TC:6  AU: Hinsche, N. F.;Yavorsky, B. Yu.;Gradhand, M.;Czerner, M.;Winkler, M.;Koenig, J.;Boettner, H.;Mertig, I.;Zahn, P.;
19:70:3     Electronic structure and thermoelectric properties of Sb-based semiconducting half-Heusler compounds
DOI:10.1103/PhysRevB.83.085204  JN:PHYSICAL REVIEW B  PY:2011
  TC:20  AU: Lee, Mal-Soon;Poudeu, Ferdinand P.;Mahanti, S. D.;
19:70:4     Electronic structure and volume effect on thermoelectric transport in p-type Bi and Sb tellurides
DOI:10.1103/PhysRevB.81.155211  JN:PHYSICAL REVIEW B  PY:2010
  TC:21  AU: Park, Min Sik;Song, Jung-Hwan;Medvedeva, Julia E.;Kim, Miyoung;Kim, In Gee;Freeman, Arthur J.;
19:70:5     Grain Boundary Engineering for Improved Thin Silicon Photovoltaics
DOI:10.1021/nl501020q  JN:NANO LETTERS  PY:2014
  TC:0  AU: Raghunathan, Rajamani;Johlin, Eric;Grossman, Jeffrey C.;
19:70:6     Lorenz Function of Bi2Te3/Sb2Te3 Superlattices
DOI:10.1007/s11664-012-2279-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Hinsche, N. F.;Mertig, I.;Zahn, P.;
19:70:7     Interpretation of the Raman spectra of the glassy states of SixS1-x and SixSe1-x
DOI:10.1016/j.matchemphys.2013.05.038  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2013
  TC:0  AU: Devi, V. Radhika;Zabidi, Noriza Ahmad;Shrivastava, Keshav N.;
19:70:8     Thermoelectric properties of Bi0.5Sb1.5Te3/C-60 nanocomposites
DOI:10.1103/PhysRevB.86.075426  JN:PHYSICAL REVIEW B  PY:2012
  TC:4  AU: Blank, V. D.;Buga, S. G.;Kulbachinskii, V. A.;Kytin, V. G.;Medvedev, V. V.;Popov, M. Yu.;Stepanov, P. B.;Skok, V. F.;
19:70:9     Electronic structure and thermoelectric properties of Sb-based semiconducting half-Heusler compounds (vol 83, 085204, 2011)
DOI:10.1103/PhysRevB.83.159907  JN:PHYSICAL REVIEW B  PY:2011
  TC:0  AU: Lee, Mal-Soon;Poudeu, Ferdinand P.;Mahanti, S. D.;
19:70:10     Influence of strain on anisotropic thermoelectric transport in Bi2Te3 and Sb2Te3 (vol 84, 165214, 2011)
DOI:10.1103/PhysRevB.85.089902  JN:PHYSICAL REVIEW B  PY:2012
  TC:0  AU: Hinsche, N. F.;Yavorsky, B. Yu.;Mertig, I.;Zahn, P.;
19:70:11     Atomic and electronic structures of Si[001] (130) symmetric tilt grain boundaries based on first-principles calculations
DOI:10.1016/j.commatsci.2012.02.006  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2012
  TC:5  AU: Huang, Wen Lai;Ge, Wei;Li, Chengxiang;Hou, Chaofeng;Wang, Xiaowei;He, Xianfeng;
19:70:12     Ab initio calculation of vibrational frequencies of AsO glass
DOI:10.1016/j.jnoncrysol.2009.11.041  JN:JOURNAL OF NON-CRYSTALLINE SOLIDS  PY:2010
  TC:13  AU: Rosli, Ahmad Nazrul;Zabidi, Noriza Ahmad;Abu Kassim, Hasan;Shrivastava, Keshav N.;
19:70:13     EELS and Ab-Initio Study of Faceted CSL Boundary in Silicon
DOI:10.2320/matertrans.MB201018  JN:MATERIALS TRANSACTIONS  PY:2011
  TC:4  AU: Sakaguchi, Norihito;Miyake, Makito;Watanabe, Seiichi;Takahashi, Heishichiro;
19:71:1     Thermal conductivity in metallic nanostructures at high temperature: Electrons, phonons, and the Wiedemann-Franz law
DOI:10.1103/PhysRevB.82.075418  JN:PHYSICAL REVIEW B  PY:2010
  TC:31  AU: Stojanovic, N.;Maithripala, D. H. S.;Berg, J. M.;Holtz, M.;
19:71:2     Thermal conductivity and secondary porosity of single anatase TiO2 nanowire
DOI:10.1088/0957-4484/23/18/185701  JN:NANOTECHNOLOGY  PY:2012
  TC:12  AU: Feng, Xuhui;Huang, Xiaopeng;Wang, Xinwei;
19:71:3     Thermo-physical properties of thin films composed of anatase TiO2 nanofibers
DOI:10.1016/j.actamat.2010.11.059  JN:ACTA MATERIALIA  PY:2011
  TC:20  AU: Feng, X.;Wang, X.;Chen, X.;Yue, Y.;
19:71:4     Electrical and Thermal Conduction in Atomic Layer Deposition Nanobridges Down to 7 nm Thickness
DOI:10.1021/nl203548w  JN:NANO LETTERS  PY:2012
  TC:23  AU: Yoneoka, Shingo;Lee, Jaeho;Liger, Matthieu;Yama, Gary;Kodama, Takashi;Gunji, Marika;Provine, J.;Howe, Roger T.;Goodson, Kenneth E.;Kennyt, Thomas W.;
19:71:5     Thermal and Electrical Conduction in Ultrathin Metallic Films: 7 nm down to Sub-Nanometer Thickness
DOI:10.1002/smll.201202877  JN:SMALL  PY:2013
  TC:8  AU: Lin, Huan;Xu, Shen;Wang, Xinwei;Mei, Ning;
19:71:6     Heat conductivity of the DNA double helix
DOI:10.1103/PhysRevB.83.245406  JN:PHYSICAL REVIEW B  PY:2011
  TC:17  AU: Savin, Alexander V.;Mazo, Mikhail A.;Kikot, Irina P.;Manevitch, Leonid I.;Onufriev, Alexey V.;
19:71:7     Promoted electron transport and sustained phonon transport by DNA down to 10 K
DOI:10.1016/j.polymer.2014.10.016  JN:POLYMER  PY:2014
  TC:1  AU: Xu, Zaoli;Wang, Xinwei;Xie, Huaqing;
19:71:8     Electron Transport and Bulk-like Behavior of Wiedemann-Franz Law for Sub-7 nm-Thin Iridium Films on Silkworm Silk
DOI:10.1021/am501876d  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:3  AU: Lin, Huan;Xu, Shen;Zhang, Yu-Qing;Wang, Xinwei;
19:71:9     Thermophysical properties of free-standing micrometer-thick Poly (3-hexylthiophene) films
DOI:10.1016/j.tsf.2011.03.043  JN:THIN SOLID FILMS  PY:2011
  TC:14  AU: Feng, Xuhui;Wang, Xinwei;
19:71:10     Energy transport in crystalline DNA composites
DOI:10.1063/1.4863924  JN:AIP ADVANCES  PY:2014
  TC:3  AU: Xu, Zaoli;Xu, Shen;Tang, Xiaoduan;Wang, Xinwei;
19:71:11     3-dimensional anisotropic thermal transport in microscale poly(3-hexylthiophene) thin films
DOI:10.1016/j.polymer.2013.01.038  JN:POLYMER  PY:2013
  TC:3  AU: Feng, Xuhui;Liu, Guoqing;Xu, Shen;Lin, Huan;Wang, Xinwei;
19:71:12     Transient lattice distortion induced by ultrashort heat pulse propagation through thin film metal/metal interface
DOI:10.1063/1.4790378  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Er, Ali Oguz;Chen, Jie;Tang, Jau;Rentzepis, Peter M.;
19:71:13     Thermal transport in single silkworm silks and the behavior under stretching
DOI:10.1039/c2sm26146d  JN:SOFT MATTER  PY:2012
  TC:8  AU: Liu, Guoqing;Huang, Xiaopeng;Wang, Yuanjing;Zhang, Yu-Qing;Wang, Xinwei;
19:71:14     Production of semiconducting gold-DNA nanowires by application of DC bias
DOI:10.1088/0957-4484/21/18/185604  JN:NANOTECHNOLOGY  PY:2010
  TC:2  AU: Joshi, Rakesh K.;West, Leigh;Kumar, Amrita;Joshi, Nidhi;Alwarappan, Subbiah;Kumar, Ashok;
19:71:15     Thermal and Electrical Transport Properties of Zr-Based Bulk Metallic Glassy Alloys with High Glass-Forming Ability
DOI:10.2320/matertrans.M2012163  JN:MATERIALS TRANSACTIONS  PY:2012
  TC:1  AU: Umetsu, Rie Y.;Tu, Rong;Goto, Takashi;
19:72:1     Theory of interface scattering of phonons in superlattices
DOI:10.1103/PhysRevB.82.144303  JN:PHYSICAL REVIEW B  PY:2010
  TC:14  AU: Hepplestone, S. P.;Srivastava, G. P.;
19:72:2     Detailed calculation of the thermoelectric figure of merit in an n-doped SiGe alloy
DOI:10.1103/PhysRevB.86.045205  JN:PHYSICAL REVIEW B  PY:2012
  TC:4  AU: Thomas, Iorwerth O.;Srivastava, G. P.;
19:72:3     Lattice dynamics and thermal properties of phononic semiconductors
DOI:10.1103/PhysRevB.84.115326  JN:PHYSICAL REVIEW B  PY:2011
  TC:10  AU: Hepplestone, S. P.;Srivastava, G. P.;
19:72:4     Thermoelectric properties of n-type Bi-2(Te0.85Se0.15)(3) single crystals doped with CuBr and SbI3
DOI:10.1103/PhysRevB.85.125207  JN:PHYSICAL REVIEW B  PY:2012
  TC:6  AU: Yelgel, Oe Ceyda;Srivastava, G. P.;
19:72:5     Strategies for tuning phonon transport in multilayered structures using a mismatch-based particle model
DOI:10.1063/1.4704681  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Le, Nam Q.;Duda, John C.;English, Timothy S.;Hopkins, Patrick E.;Beechem, Thomas E.;Norris, Pamela M.;
19:72:6     Thinning down of thermal conductivity in ultrashort period superlattices
DOI:10.1103/PhysRevB.88.115207  JN:PHYSICAL REVIEW B  PY:2013
  TC:2  AU: Thomas, Iorwerth O.;Srivastava, G. P.;
19:72:7     Effects of atomic relaxation on phonon dispersion relations and thermal properties of ultrathin (Si)(n)(Ge)(n)[001] superlattices
DOI:10.1103/PhysRevB.87.085410  JN:PHYSICAL REVIEW B  PY:2013
  TC:3  AU: Thomas, Iorwerth O.;Srivastava, G. P.;
19:72:8     Phononic gaps in thin semiconductor superlattices
DOI:10.1063/1.3285415  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:11  AU: Hepplestone, S. P.;Srivastava, G. P.;
19:72:9     Thermoelectric properties of p-type (Bi2Te3)(x)(Sb2Te3)(1-x) single crystals doped with 3 wt. % Te
DOI:10.1063/1.4792653  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:4  AU: Yelgel, Oe. Ceyda;Srivastava, G. P.;
19:72:10     Analytical expression for thermal conductivity of superlattices
DOI:10.1063/1.3386464  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:15  AU: Alvarez, F. X.;Alvarez-Quintana, J.;Jou, D.;Rodriguez Viejo, J.;
19:72:11     Thermoelectric properties of Bi2Se3/Bi2Te3/Bi2Se3 and Sb2Te3/Bi2Te3/Sb2Te3 quantum well systems
DOI:10.1080/14786435.2014.903340  JN:PHILOSOPHICAL MAGAZINE  PY:2014
  TC:0  AU: Yelgel, Ovgu Ceyda;Srivastava, G. P.;
19:72:12     Heat transport through interfaces with and without misfit dislocation arrays
DOI:10.1557/jmr.2012.316  JN:JOURNAL OF MATERIALS RESEARCH  PY:2012
  TC:0  AU: Hanisch-Blicharski, Anja;Krenzer, Boris;Wall, Simone;Kalus, Annika;Frigge, Tim;Horn-von Hoegen, Michael;
19:72:13     Cross-plane thermal conductivity of a PbSnSe/PbSe superlattice material
DOI:10.1063/1.3615797  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:2  AU: Jeffers, James D.;Namjou, Khosrow;Cai, Zhihua;McCann, Patrick J.;Olona, Leonard;
19:73:1     Observation of Anisotropy in Thermal Conductivity of Individual Single-Crystalline Bismuth Nanowires
DOI:10.1021/nn200474d  JN:ACS NANO  PY:2011
  TC:27  AU: Roh, Jong Wook;Hippalgaonkar, Kedar;Ham, Jin Hee;Chen, Renkun;Li, Ming Zhi;Ercius, Peter;Majumdar, Arun;Kim, Woochul;Lee, Wooyoung;
19:73:2     Temperature-dependent thermal conductivities of 1D semiconducting nanowires via four-point-probe 3-omega method
DOI:10.1088/0957-4484/24/49/495202  JN:NANOTECHNOLOGY  PY:2013
  TC:7  AU: Lee, Seung-Yong;Lee, Mi-Ri;Park, No-Won;Kim, Gil-Sung;Choi, Heon-Jin;Choi, Tae-Youl;Lee, Sang-Kwon;
19:73:3     Thermal conductivity of a single Bi0.5Sb1.5Te3 single-crystalline nanowire
DOI:10.1088/0957-4484/25/41/415704  JN:NANOTECHNOLOGY  PY:2014
  TC:1  AU: Li, Liang;Jin, Chiming;Xu, Sichao;Yang, Jiyong;Du, Haifeng;Li, Guanghai;
19:73:4     Focused ion beam-assisted manipulation of single and double beta-SiC nanowires and their thermal conductivity measurements by the four-point-probe 3-omega method
DOI:10.1088/0957-4484/21/12/125301  JN:NANOTECHNOLOGY  PY:2010
  TC:26  AU: Lee, K. M.;Choi, T. Y.;Lee, S. K.;Poulikakos, D.;
19:73:5     Thermal conductivity measurements of single-crystalline bismuth nanowires by the four-point-probe 3-omega technique at low temperatures
DOI:10.1088/0957-4484/24/18/185401  JN:NANOTECHNOLOGY  PY:2013
  TC:11  AU: Lee, Seung-Yong;Kim, Gil-Sung;Lee, Mi-Ri;Lim, Hyuneui;Kim, Wan-Doo;Lee, Sang-Kwon;
19:73:6     Highly enhanced thermoelectric figure of merit of a beta-SiC nanowire with a nanoelectromechanical measurement approach
DOI:10.1007/s00339-011-6718-0  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2012
  TC:10  AU: Lee, Kyung-Min;Lee, Sang-Kwon;Choi, Tae-Youl;
19:73:7     Enhanced thermoelectric properties of thermal treated Sb2Te3 thin films
DOI:10.1016/j.jallcom.2013.08.164  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:6  AU: Hong, Ji-Eun;Lee, Sang-Kwon;Yoon, Soon-Gil;
19:73:8     Bismuth nanowires with very low lattice thermal conductivity as revealed by the 3 omega method
DOI:10.1088/0957-4484/23/49/495711  JN:NANOTECHNOLOGY  PY:2012
  TC:6  AU: Holtzman, A.;Shapira, E.;Selzer, Y.;
19:73:9     Very High Thermopower of Bi Nanowires with Embedded Quantum Point Contacts
DOI:10.1021/nl2038425  JN:NANO LETTERS  PY:2012
  TC:7  AU: Shapira, Eyal;Holtzman, Amir;Marchak, Debora;Selzer, Yoram;
19:73:10     Ballistic conductance and thermoelectric power of lead-salt semiconductor nanowires
DOI:10.1103/PhysRevB.82.153302  JN:PHYSICAL REVIEW B  PY:2010
  TC:5  AU: Aparecida da Costa, V.;de Andrada e Silva, E. A.;
19:73:11     A generalized 3 omega method for extraction of thermal conductivity in thin films
DOI:10.1063/1.3559299  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:5  AU: Zong, Zhao-Xiang;Qiu, Zhi-Jun;Zhang, Shi-Li;Streiter, Reinhard;Liu, Ran;
19:73:12     Annealing effect on the thermal conductivity of thermoelectric ZnTe nanowires
DOI:10.1016/j.matlet.2014.07.114  JN:MATERIALS LETTERS  PY:2014
  TC:0  AU: Shaygan, Mehrdad;Kheirabi, Nazli;Davami, Keivan;Mortazavi, Bohayra;Lee, Jeong-Soo;Cuniberti, Gianaurelio;Meyyappan, M.;
19:73:13     Thermoelectric properties of silicon carbide nanowires with nitride dopants and vacancies
DOI:10.1103/PhysRevB.84.245451  JN:PHYSICAL REVIEW B  PY:2011
  TC:1  AU: Xu, Zhuo;Zheng, Qing-Rong;Su, Gang;
19:73:14     Development of a Thermal Conductivity Measurement System Using the 3 omega Method and Application to Thermoelectric Particles
DOI:10.1007/s11664-014-2993-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Nishino, Shunsuke;Koyano, Mikio;Suekuni, Koichiro;Ohdaira, Keisuke;
19:74:1     Enhanced thermoelectric properties of the n-type Magneli phase WO2.90: reduced thermal conductivity through microstructure engineering
DOI:10.1039/c4ta01395f  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:3  AU: Kieslich, Gregor;Burkhardt, Ulrich;Birkel, Christina S.;Veremchuk, Igor;Douglas, Jason E.;Gaultois, Michael W.;Lieberwirth, Ingo;Seshadri, Ram;Stucky, Galen D.;Grin, Yuri;Tremel, Wolfgang;
19:74:2     Thermoelectric properties and crystallographic shear structures in titanium oxides of the Magneli phases
DOI:10.1063/1.3498801  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:27  AU: Harada, Shunta;Tanaka, Katsushi;Inui, Haruyuki;
19:74:3     Facile General Route toward Tunable Magneli Nanostructures and Their Use As Thermoelectric Metal Oxide/Carbon Nanocomposites
DOI:10.1021/nn203265u  JN:ACS NANO  PY:2011
  TC:22  AU: Portehault, David;Maneeratana, Vasana;Candolfi, Christophe;Deschler, Niels;Veremchuk, Igor;Grin, Yuri;Sanchez, Clement;Antonietti, Markus;
19:74:4     Semiconducting large bandgap oxides as potential thermoelectric materials for high-temperature power generation?
DOI:10.1007/s00339-014-8515-z  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2014
  TC:8  AU: Backhaus-Ricoult, M.;Rustad, J.;Moore, L.;Smith, C.;Brown, J.;
19:74:5     Original Electrospun Core Shell Nanostructured Magneli Titanium Oxide Fibers and their Electrical Properties
DOI:10.1002/adma.201305148  JN:ADVANCED MATERIALS  PY:2014
  TC:4  AU: Maneeratana, Vasana;Portehault, David;Chaste, Julien;Mailly, Dominique;Antonietti, Markus;Sanchez, Clement;
19:74:6     Levers for Thermoelectric Properties in Titania-Based Ceramics
DOI:10.1007/s11664-012-2019-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:9  AU: Backhaus-Ricoult, Monika;Rustad, James R.;Vargheese, Deenamma;Dutta, Indrajit;Work, Kim;
19:74:7     SPS-assisted preparation of the Magneli phase WO2.90 for thermoelectric applications
DOI:10.1039/c3ta12145c  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:5  AU: Kieslich, Gregor;Birkel, Christina S.;Douglas, Jason E.;Gaultois, Michael;Veremchuk, Igor;Seshadri, Ram;Stucky, Galen D.;Grin, Yuri;Tremel, Wolfgang;
19:74:8     Effect of Cu powder addition on thermoelectric properties of Cu/TiO2-x composites
DOI:10.1016/j.ceramint.2013.01.107  JN:CERAMICS INTERNATIONAL  PY:2013
  TC:6  AU: Lu, Yun;Sagara, Katsuhiro;Matsuda, Yusuke;Hao, Liang;Jin, Ying Rong;Yoshida, Hiroyuki;
19:74:9     Fabrication of Non-Stoichiometric Titanium Dioxide by Spark Plasma Sintering and Its Thermoelectric Properties
DOI:10.2320/matertrans.E-M2012808  JN:MATERIALS TRANSACTIONS  PY:2012
  TC:6  AU: Lu, Yun;Sagara, Katsuhiro;Hao, Liang;Ji, Ziwu;Yoshida, Hiroyuki;
19:74:10     Manufacturing Processes for TiOx-Based Thermoelectric Modules: from Suboxide Synthesis to Module Testing
DOI:10.1007/s11664-014-3128-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Conze, S.;Poenicke, A.;Martin, H. -P.;Rost, A.;Kinski, I.;Schilm, J.;Michaelis, A.;
19:74:11     Improvement in Thermoelectric Properties of Non-Stoichiometric Titanium Dioxide by Reduction Treatment
DOI:10.2320/matertrans.E-M2013820  JN:MATERIALS TRANSACTIONS  PY:2013
  TC:0  AU: Lu, Yun;Hao, Liang;Sagara, Katsuhiro;Yoshida, Hiroyuki;Jin, Yingrong;
19:74:12     Preparation of Magneli phases of Ti27O52 and Ti6O11 films by laser chemical vapor deposition
DOI:10.1016/j.tsf.2010.07.050  JN:THIN SOLID FILMS  PY:2010
  TC:6  AU: Tu, Rong;Huo, Guangsheng;Kimura, Teiichi;Goto, Takashi;
19:74:13     Development of laser-based joining technology for the fabrication of ceramic thermoelectric modules
DOI:10.1557/jmr.2014.216  JN:JOURNAL OF MATERIALS RESEARCH  PY:2014
  TC:1  AU: Boerner, Floriana-Dana;Schreier, Max;Feng, Bing;Lippmann, Wolfgang;Martin, Hans-Peter;Michaelis, Alexander;Hurtado, Antonio;
19:75:1     Lattice thermal conductivity reduction in Bi2Te3 quantum wires with smooth and rough surfaces: A molecular dynamics study
DOI:10.1103/PhysRevB.83.035312  JN:PHYSICAL REVIEW B  PY:2011
  TC:22  AU: Qiu, Bo;Sun, Lin;Ruan, Xiulin;
19:75:2     Lattice thermal conductivity of (Bi1-xSbx)(2)Te-3 alloys with embedded nanoparticles
DOI:10.1103/PhysRevB.85.115208  JN:PHYSICAL REVIEW B  PY:2012
  TC:7  AU: Katcho, N. A.;Mingo, N.;Broido, D. A.;
19:75:3     Large thermal conductivity decrease in point defective Bi2Te3 bulk materials and superlattices
DOI:10.1063/1.4772783  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:12  AU: Termentzidis, Konstantinos;Pokropyvnyy, Oleksiy;Woda, Michael;Xiong, Shiyun;Chumakov, Yuri;Cortona, Pietro;Volz, Sebastian;
19:75:4     Effects of Disordered Atoms and Nanopores on Mechanical Properties of beta-Zn4Sb3: a Molecular Dynamics Study
DOI:10.1007/s11664-012-2305-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Li, Guodong;Li, Yao;Zhang, Qingjie;Liu, Lisheng;Zhai, Pengcheng;
19:75:5     Thermal conductivity prediction and analysis of few-quintuple Bi2Te3 thin films: A molecular dynamics study
DOI:10.1063/1.3514252  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:12  AU: Qiu, Bo;Ruan, Xiulin;
19:75:6     Optimized thermoelectric performance of Bi2Te3 nanowires
DOI:10.1039/c3ta10804j  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:8  AU: Lv, H. Y.;Liu, H. J.;Shi, J.;Tang, X. F.;Uher, C.;
19:75:7     Molecular dynamics study on thermo-mechanical properties of bismuth telluride bulk
DOI:10.1016/j.commatsci.2010.01.019  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2010
  TC:9  AU: Tong, Yu;Yi, Fajun;Liu, Lisheng;Zhai, Pengcheng;Zhang, Qingjie;
19:75:8     Molecular Dynamics Study of the Mechanical Properties of Single-Crystal Bulk -Zn4Sb3: Vacancy and Temperature Effects
DOI:10.1007/s11664-012-2010-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Li, Guodong;Li, Yao;Zhang, Qingjie;Liu, Lisheng;Zhai, Pengcheng;
19:75:9     "Nanoparticle in Alloy" Approach to Efficient Thermoelectrics: Silicides in SiGe (vol 9, pg 711, 2009)
DOI:10.1021/nl101467h  JN:NANO LETTERS  PY:2010
  TC:4  AU: Mingo, N.;Hauser, D.;Kobayashi, N. P.;Plissonnier, M.;Shakouri, A.;
19:75:10     Use of Molecular Dynamics Simulations to Study the Effects of Nanopores and Vacancies on the Mechanical Properties of Bi2Te3
DOI:10.1007/s11664-013-2883-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Li, Yao;Cai, Kuiyu;Huang, Ben;Li, Guodong;Liu, Lisheng;Zhai, Pengcheng;
19:75:11     Effect of Nonlinearity of the Phonon Spectrum on the Thermal Conductivity of Nanostructured Materials Based on Bi-Sb-Te
DOI:10.1007/s11664-014-3162-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Bulat, L. P.;Osvenskii, V. B.;Pshenay-Severin, D. A.;
19:76:1     Semiclassical model for thermoelectric transport in nanocomposites
DOI:10.1103/PhysRevB.82.115308  JN:PHYSICAL REVIEW B  PY:2010
  TC:32  AU: Zhou, Jun;Li, Xiaobo;Chen, Gang;Yang, Ronggui;
19:76:2     Effective thermal conductivity of polycrystalline materials with randomly oriented superlattice grains
DOI:10.1063/1.3457334  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:21  AU: Yang, Fan;Ikeda, Teruyuki;Snyder, G. Jeffrey;Dames, Chris;
19:76:3     Optimal thermoelectric figure of merit in Bi2Te3/Sb2Te3 quantum dot nanocomposites
DOI:10.1103/PhysRevB.85.115320  JN:PHYSICAL REVIEW B  PY:2012
  TC:1  AU: Zhou, Jun;Wang, Yuanyuan;Sharp, Jeff;Yang, Ronggui;
19:76:4     Quantum and classical thermoelectric transport in quantum dot nanocomposites
DOI:10.1063/1.3653263  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:6  AU: Zhou, Jun;Yang, Ronggui;
19:76:5     On the effective thermoelectric properties of layered heterogeneous medium
DOI:10.1063/1.3674279  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:8  AU: Yang, Y.;Xie, S. H.;Ma, F. Y.;Li, J. Y.;
19:76:6     Thermoelectric transport in strongly correlated quantum dot nanocomposites
DOI:10.1103/PhysRevB.82.075324  JN:PHYSICAL REVIEW B  PY:2010
  TC:10  AU: Zhou, Jun;Yang, Ronggui;
19:76:7     Magnetic field and nanostructuring effects on the thermoelectric performance of bismuth
DOI:10.1103/PhysRevB.85.115202  JN:PHYSICAL REVIEW B  PY:2012
  TC:1  AU: Popescu, Adrian;Woods, Lilia M.;Nolas, George S.;
19:76:8     Is thermoelectric conversion efficiency of a composite bounded by its constituents?
DOI:10.1063/1.4791684  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Yang, Y.;Ma, F. Y.;Lei, C. H.;Liu, Y. Y.;Li, J. Y.;
19:76:9     Canonical perturbation theory for inhomogeneous systems of interacting fermions
DOI:10.1103/PhysRevB.84.035123  JN:PHYSICAL REVIEW B  PY:2011
  TC:4  AU: Kostyrko, Tomasz;Bulka, Bogdan R.;
19:76:10     Thermal conductivity measurement of a Sb2Te3 phase change nanowire
DOI:10.1063/1.4884604  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Saci, Abdelhak;Battaglia, Jean-Luc;Kusiak, Andrzej;Fallica, Roberto;Longo, Massimo;
19:77:1     Unconventional Anomalous Hall Effect in the Metallic Triangular-Lattice Magnet PdCrO2
DOI:10.1103/PhysRevLett.105.137201  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:23  AU: Takatsu, Hiroshi;Yonezawa, Shingo;Fujimoto, Satoshi;Maeno, Yoshiteru;
19:77:2     Three-dimensional magnetism and coupling to the conduction electrons in PdCrO2
DOI:10.1103/PhysRevB.85.134403  JN:PHYSICAL REVIEW B  PY:2012
  TC:4  AU: Ong, Khuong P.;Singh, David J.;
19:77:3     Collective excitations in the metallic triangular antiferromagnet PdCrO2
DOI:10.1103/PhysRevB.90.045122  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Glamazda, A.;Lee, W. -J.;Do, S. -H.;Choi, K. -Y.;Lemmens, P.;Van Tol, J.;Jeong, J.;Noh, H. -J.;
19:77:4     Magnetic structure of the conductive triangular-lattice antiferromagnet PdCrO2
DOI:10.1103/PhysRevB.89.104408  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Takatsu, Hiroshi;Nenert, Gwilherm;Kadowaki, Hiroaki;Yoshizawa, Hideki;Enderle, Mechthild;Yonezawa, Shingo;Maeno, Yoshiteru;Kim, Jungeun;Tsuji, Naruki;Takata, Masaki;Zhao, Yang;Green, Mark;Broholm, Collin;
19:77:5     Quantum Oscillations and High Carrier Mobility in the Delafossite PdCoO2
DOI:10.1103/PhysRevLett.109.116401  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:5  AU: Hicks, Clifford W.;Gibbs, Alexandra S.;Mackenzie, Andrew P.;Takatsu, Hiroshi;Maeno, Yoshiteru;Yelland, Edward A.;
19:77:6     Extremely Large Magnetoresistance in the Nonmagnetic Metal PdCoO2
DOI:10.1103/PhysRevLett.111.056601  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:4  AU: Takatsu, Hiroshi;Ishikawa, Jun J.;Yonezawa, Shingo;Yoshino, Harukazu;Shishidou, Tatsuya;Oguchi, Tamio;Murata, Keizo;Maeno, Yoshiteru;
19:77:7     Quantum Oscillations of the Metallic Triangular-Lattice Antiferromagnet PdCrO2
DOI:10.1103/PhysRevLett.111.176405  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:4  AU: Ok, Jong Mok;Jo, Y. J.;Kim, Kyoo;Shishidou, T.;Choi, E. S.;Noh, Han-Jin;Oguchi, T.;Min, B. I.;Kim, Jun Sung;
19:77:8     Electronic structure of the metallic antiferromagnet PdCrO2 measured by angle-resolved photoemission spectroscopy
DOI:10.1103/PhysRevB.88.125109  JN:PHYSICAL REVIEW B  PY:2013
  TC:3  AU: Sobota, J. A.;Kim, K.;Takatsu, H.;Hashimoto, M.;Mo, S. -K.;Hussain, Z.;Oguchi, T.;Shishidou, T.;Maeno, Y.;Min, B. I.;Shen, Z. -X.;
19:77:9     Electrical, magnetic, and magneto-electrical properties in quasi-two-dimensional K0.58RhO2 single crystals doped with rare-earth elements
DOI:10.1063/1.4893324  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Zhang, Bin-Bin;Dong, Song-Tao;Yao, Shu-Hua;Chen, Y. B.;Zhang, Shan-Tao;Gu, Zheng-Bin;Zhou, Jian;Lu, Ming-Hui;Chen, Yan-Feng;Shi, Y. G.;
19:77:10     Single crystal growth of the metallic triangular-lattice antiferromagnet PdCrO2
DOI:10.1016/j.jcrysgro.2010.08.043  JN:JOURNAL OF CRYSTAL GROWTH  PY:2010
  TC:9  AU: Takatsu, Hiroshi;Maeno, Yoshiteru;
19:77:11     Origin of anisotropy and metallic behavior in delafossite PdCoO2
DOI:10.1103/PhysRevB.81.115120  JN:PHYSICAL REVIEW B  PY:2010
  TC:7  AU: Ong, Khuong P.;Zhang, Jia;Tse, John S.;Wu, Ping;
19:77:12     Hall Effect of Spin-Chirality Origin in a Triangular-Lattice Helimagnet Fe1.3Sb
DOI:10.1103/PhysRevLett.108.056601  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:3  AU: Shiomi, Y.;Mochizuki, M.;Kaneko, Y.;Tokura, Y.;
19:77:13     Structure and physical properties of K0.63RhO2 single crystals
DOI:10.1063/1.4767464  JN:AIP ADVANCES  PY:2012
  TC:4  AU: Yao, S. H.;Zhang, B. B.;Zhou, J.;Chen, Y. B.;Zhang, S. T.;Gu, Z. B.;Dong, S. T.;Chen, Y. F.;
19:77:14     Enhanced low-energy fluctuations and increasing out-of-plane coherence in vacancy-ordered NaxCoO2
DOI:10.1103/PhysRevB.88.195151  JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758;  PY:100  TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
19:78:1     Templating synthesis of uniform Bi2Te3 nanowires with high aspect ratio in triethylene glycol (TEG) and their thermoelectric performance
DOI:10.1039/c1jm12384j  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:27  AU: Wang, Kai;Liang, Hai-Wei;Yao, Wei-Tang;Yu, Shu-Hong;
19:78:2     Effects of Various Reductants and Surfactants on the Nanostructure of Bi2Te3 Synthesized by a Hydrothermal Process
DOI:10.1007/s11664-011-1588-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:6  AU: Zhang, Yanhua;Xu, Guiying;Ren, Pan;Wang, Ze;Ge, Changchun;
19:78:3     Effects of Different Morphologies of Bi2Te3 Nanopowders on Thermoelectric Properties
DOI:10.1007/s11664-013-2541-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:6  AU: Wu, Fang;Song, Hongzhang;Gao, Feng;Shi, Wenyu;Jia, Jianfeng;Hu, Xing;
19:78:4     A facile two-step hydrothermal route for the synthesis of low-dimensional structured Bi2Te3 nanocrystals with various morphologies
DOI:10.1016/j.jallcom.2010.03.077  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:15  AU: Zhao, Q.;Wang, Y. G.;
19:78:5     Synthesis and characterization of Bi2Te3 nanotubes by a hydrothermal method
DOI:10.1016/j.jallcom.2009.11.155  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:10  AU: Wang, Zhong;Wang, Fu-qiang;Chen, Hui;Zhu, Lei;Yu, Hai-jun;Jian, Xu-yu;
19:78:6     Effect of ionic liquid amount (C8H15BrN2) on the morphology of Bi2Te3 nanoplates synthesized via a microwave-assisted heating approach
DOI:10.1016/j.jallcom.2011.02.142  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:10  AU: Ji, Guangbin;Shi, Yi;Pan, Lijia;Zheng, Youdou;
19:78:7     Preparation and Thermoelectric Properties of Yttrium-Doped Bi2Te3 Flower-Like Nanopowders
DOI:10.1007/s11664-014-3220-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Shi, Wenyu;Wu, Fang;Wang, Kunlun;Yang, Jingjing;Song, Hongzhang;Hu, Xing;
19:78:8     Polyol Synthesis of Nano-Bi2Te3
DOI:10.1007/s11664-013-2974-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Kaspar, K.;Pelz, U.;Hillebrecht, H.;
19:78:9     Solvothermal synthesis of Bi2Te3 nanotubes by the interdiffusion of Bi and Te metals
DOI:10.1016/j.matlet.2010.01.065  JN:MATERIALS LETTERS  PY:2010
  TC:10  AU: Kim, Sook Hyun;Park, Byung Ki;
19:78:10     Facile synthesis and thermoelectric studies of n-type bismuth telluride nanorods with cathodic stripping Te electrode
DOI:10.1016/j.matchemphys.2013.09.036  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2014
  TC:2  AU: Yuan, Guoqiu;Li, Yusong;Bao, Ning;Miao, Jianwen;Ge, Cunwang;Wang, Yihong;
19:78:11     Hydrothermal synthesis of Bi2Te3 nanowires through the solid-state interdiffusion of Bi and Te atoms on the surface of Te nanowires
DOI:10.1016/j.jcrysgro.2010.08.033  JN:JOURNAL OF CRYSTAL GROWTH  PY:2010
  TC:4  AU: Kim, Jang-Jung;Kim, Sook-Hyun;Suh, Seung-Wook;Choe, Dong-Uk;Park, Byung-Ki;Lee, Jae-Rock;Lee, Young-Seak;
19:78:12     The Influence of Sintering Temperature on the Microstructure and Thermoelectric Properties of n-Type Bi2Te3-xSex Nanomaterials
DOI:10.1007/s11664-010-1424-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:9  AU: Du, Y.;Cai, K. F.;Li, H.;An, B. J.;
19:78:13     An Aqueous-Chemistry Approach to Nano-Bismuth Telluride and Nano-Antimony Telluride as Thermoelectric Materials
DOI:10.1007/s11664-012-2099-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:7  AU: Pelz, U.;Kaspar, K.;Schmidt, S.;Dold, M.;Jaegle, M.;Pfaadt, A.;Hillebrecht, H.;
19:78:14     The Effect of Cu Addition on the System Stability and Thermoelectric Properties of Bi2Te3
DOI:10.1007/s11664-013-2928-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Chen, S.;Cai, K. F.;Li, F. Y.;Shen, S. Z.;
19:78:15     Synthesis of Self-aligned Tellurium Nanotubes by a Sodium Thiosulfate-assisted Polyol Method
DOI:10.1007/s13391-011-0960-7  JN:ELECTRONIC MATERIALS LETTERS  PY:2012
  TC:6  AU: Kim, Bin;Park, Byung-Ki;
19:78:16     In situ transmission electron microscopy study of alpha-brass nanoligament formation, microstructure evolution and fracture
DOI:10.1016/j.scriptamat.2011.05.032  JN:SCRIPTA MATERIALIA  PY:2011
  TC:1  AU: He, Y. I.;Yan, Y. J.;Qiao, L. J.;Volinsky, Alex A.;
19:79:1     Single crystal flux growths of thermoelectric materials
DOI:10.1080/14786435.2012.682179  JN:PHILOSOPHICAL MAGAZINE  PY:2012
  TC:9  AU: Ribeiro, Raquel A.;Avila, Marcos A.;
19:79:2     Optical Conductivity Spectral Anomalies in the Off-Center Rattling System beta-Ba8Ga16Sn30
DOI:10.1103/PhysRevLett.106.015501  JN:PHYSICAL REVIEW LETTERS  PY:2011
  TC:20  AU: Mori, T.;Iwamoto, K.;Kushibiki, S.;Honda, H.;Matsumoto, H.;Toyota, N.;Avila, M. A.;Suekuni, K.;Takabatake, T.;
19:79:3     Off-center rattling modes and glasslike thermal conductivity in the type-I clathrate Ba8Ga16Sn30
DOI:10.1103/PhysRevB.81.205207  JN:PHYSICAL REVIEW B  PY:2010
  TC:21  AU: Suekuni, K.;Takasu, Y.;Hasegawa, T.;Ogita, N.;Udagawa, M.;Avila, M. A.;Takabatake, T.;
19:79:4     Lattice instability and elastic dispersion due to the rattling motion in the type-I clathrate Ba8Ga16Sn30
DOI:10.1103/PhysRevB.85.085101  JN:PHYSICAL REVIEW B  PY:2012
  TC:5  AU: Ishii, Isao;Suetomi, Yasuhiko;Fujita, Takahiro K.;Suekuni, Koichiro;Tanaka, Tomoo;Takabatake, Toshiro;Suzuki, Takashi;Avila, Marcos A.;
19:79:5     NMR relaxation and rattling phonons in the type-I Ba8Ga16Sn30 clathrate
DOI:10.1103/PhysRevB.84.024303  JN:PHYSICAL REVIEW B  PY:2011
  TC:7  AU: Zheng, Xiang;Rodriguez, Sergio Y.;Ross, Joseph H., Jr.;
19:79:6     Off-center rattling and cage vibration of the carrier-tuned type-I clathrate Ba8Ga16Ge30 studied by Raman scattering
DOI:10.1103/PhysRevB.82.134302  JN:PHYSICAL REVIEW B  PY:2010
  TC:17  AU: Takasu, Y.;Hasegawa, T.;Ogita, N.;Udagawa, M.;Avila, M. A.;Suekuni, K.;Takabatake, T.;
19:79:7     Systematic studies on anharmonicity of rattling phonons in type-I clathrates by low-temperature heat capacity measurements
DOI:10.1103/PhysRevB.89.214301  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Wu, Jiazhen;Xu, Jingtao;Prananto, Dwi;Shimotani, Hidekazu;Tanabe, Yoichi;Heguri, Satoshi;Tanigaki, Katsumi;
19:79:8     Transport and thermodynamic properties under anharmonic motion in type-I Ba8Ga16Sn30 clathrate
DOI:10.1103/PhysRevB.85.214304  JN:PHYSICAL REVIEW B  PY:2012
  TC:2  AU: Zheng, Xiang;Rodriguez, Sergio Y.;Saribaev, Laziz;Ross, Joseph H., Jr.;
19:79:9     Quantitative relation between structure and thermal conductivity in type-I clathrates X8Ga16Ge30 (X = Sr, Ba) based on electrostatic-potential analysis
DOI:10.1103/PhysRevB.85.144305  JN:PHYSICAL REVIEW B  PY:2012
  TC:6  AU: Fujiwara, Akihiko;Sugimoto, Kunihisa;Shih, Che-Hsiu;Tanaka, Hiroshi;Tang, Jun;Tanabe, Yoichi;Xu, Jingtao;Heguri, Satoshi;Tanigaki, Katsumi;Takata, Masaki;
19:79:10     Barium dynamics in noble-metal clathrates
DOI:10.1103/PhysRevB.82.184303  JN:PHYSICAL REVIEW B  PY:2010
  TC:6  AU: Johnsen, S.;Christensen, M.;Thomsen, B.;Madsen, G. K. H.;Iversen, B. B.;
19:79:11     Signature of electron-phonon interaction in high temperature superconductors
DOI:10.1063/1.3610642  JN:AIP ADVANCES  PY:2011
  TC:4  AU: Ashokan, Vinod;Indu, B. D.;Dimri, A. Kr.;
19:79:12     Optical conductivity spectra of rattling phonons and charge carriers in the type-VIII clathrate Ba8Ga16Sn30
DOI:10.1103/PhysRevB.88.104308  JN:PHYSICAL REVIEW B  PY:2013
  TC:2  AU: Iwamoto, K.;Mori, T.;Kajitani, S.;Matsumoto, H.;Toyota, N.;Suekuni, K.;Avila, M. A.;Saiga, Y.;Takabatake, T.;
19:79:13     Electron-Phonon Interactions of Si-100 and Ge-100 Superconductors with Ba Atoms Inside
DOI:10.1103/PhysRevLett.105.176402  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:4  AU: Tang, Jun;Xu, Jingtao;Heguri, Satoshi;Fukuoka, Hiroshi;Yamanaka, Syoji;Akai, Koji;Tanigaki, Katsumi;
19:79:14     Effect of Europium Substitution on Thermoelectric Properties of Noble-Metal Silicon Clathrates with Ba8-xEuxCuySi46-y Nominal Compositions
DOI:10.2320/matertrans.E-M2012816  JN:MATERIALS TRANSACTIONS  PY:2012
  TC:1  AU: Anno, H.;Okita, K.;Koga, K.;Harima, S.;Nakabayashi, T.;Hokazono, M.;Akai, K.;
19:79:15     Renormalization effects and phonon density of states in high temperature superconductors
DOI:10.1063/1.4791762  JN:AIP ADVANCES  PY:2013
  TC:3  AU: Ashokan, Vinod;Indu, B. D.;
19:79:16     Thermoelectric properties of Au-containing type-I clathrates Ba(8)Au(x)Ga(16-3x)Ge30+2x
DOI:10.1016/j.jallcom.2013.10.104  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Ye, Zuxin;Cho, Jung Young;Tessema, Misle M.;Salvador, James R.;Waldo, Richard A.;Yang, Jihui;Wang, Hsin;Cai, W.;Kirkham, M. J.;Yang, Jiong;Zhang, Wenqing;
19:80:1     Tuning thermal conductivity of nanoporous crystalline silicon by surface passivation: A molecular dynamics study
DOI:10.1063/1.4733352  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:3  AU: Fang, Jin;Pilon, Laurent;
19:80:2     Pore-size dependence of the thermal conductivity of porous silicon: A phonon hydrodynamic approach
DOI:10.1063/1.3462936  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:24  AU: Alvarez, F. X.;Jou, D.;Sellitto, A.;
19:80:3     Non-Fourier heat conductions in nanomaterials
DOI:10.1063/1.3634078  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:30  AU: Wang, Moran;Yang, Nuo;Guo, Zeng-Yuan;
19:80:4     Ballistic phonon transmission in quasiperiodic acoustic nanocavities
DOI:10.1063/1.3576176  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:3  AU: Mo, Yuan;Huang, Wei-Qing;Huang, Gui-Fang;Chen, Yuan;Hu, Wangyu;Wang, Ling-Ling;Pan, Anlian;
19:80:5     Scaling laws for thermal conductivity of crystalline nanoporous silicon based on molecular dynamics simulations
DOI:10.1063/1.3638054  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:15  AU: Fang, Jin;Pilon, Laurent;
19:80:6     Thermal rectification in inhomogeneous nanoporous Si devices
DOI:10.1063/1.4816685  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Criado-Sancho, M.;Alvarez, F. X.;Jou, D.;
19:80:7     Second law of thermodynamics and phonon-boundary conditions in nanowires
DOI:10.1063/1.3309477  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:29  AU: Sellitto, A.;Alvarez, F. X.;Jou, D.;
19:80:8     Nonlinear evolution and stability of the heat flow in nanosystems: Beyond linear phonon hydrodynamics
DOI:10.1103/PhysRevB.82.184302  JN:PHYSICAL REVIEW B  PY:2010
  TC:22  AU: Cimmelli, V. A.;Sellitto, A.;Jou, D.;
19:80:9     Entropy flux and anomalous axial heat transport at the nanoscale
DOI:10.1103/PhysRevB.87.054302  JN:PHYSICAL REVIEW B  PY:2013
  TC:3  AU: Sellitto, A.;Cimmelli, V. A.;Jou, D.;
19:80:10     Temperature dependence of boundary conditions in phonon hydrodynamics of smooth and rough nanowires
DOI:10.1063/1.3431348  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:25  AU: Sellitto, A.;Alvarez, F. X.;Jou, D.;
19:80:11     Generalized heat conduction laws based on thermomass theory and phonon hydrodynamics
DOI:10.1063/1.3634113  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:22  AU: Dong, Yuan;Cao, Bing-Yang;Guo, Zeng-Yuan;
19:80:12     Nonequilibrium temperatures, heat waves, and nonlinear heat transport equations
DOI:10.1103/PhysRevB.81.054301  JN:PHYSICAL REVIEW B  PY:2010
  TC:20  AU: Cimmelli, V. A.;Sellitto, A.;Jou, D.;
19:80:13     Thermal conductivity modeling of circular-wire nanocomposites
DOI:10.1063/1.3457230  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:9  AU: Hsieh, Tse-Yang;Yang, Jaw-Yen;
19:81:1     Thermoelectric and thermomechanical properties of the hot pressed polycrystalline Bi0.5S1.5Te3 alloys
DOI:10.1016/j.jallcom.2010.09.014  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:9  AU: Shen, J. J.;Zhang, S. N.;Yang, S. H.;Yin, Z. Z.;Zhu, T. J.;Zhao, X. B.;
19:81:2     Chalcogen-based thermoelectric power generation device using p-type Bi0.4Sb1.6Se2.4Te0.6 and n-type Bi2Se0.6Te2.4 prepared by solid-state microwave synthesis
DOI:10.1016/j.mssp.2012.09.017  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2013
  TC:1  AU: Kadhim, A.;Hmood, A.;Abu Hassan, H.;
19:81:3     Effect of Se Substitution on Structural and Electrical Transport Properties of Bi0.4Sb1.6Se3x Te3(1-x) Hexagonal Rods
DOI:10.1007/s11664-013-2496-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Kadhim, Arej;Hmood, Arshad;Abu Hassan, Haslan;
19:81:4     Physical properties of Bi-2 (Te, Se)(3) and Bi2Se1.2Te1.8 prepared using solid-state microwave synthesis
DOI:10.1016/j.matlet.2011.06.069  JN:MATERIALS LETTERS  PY:2011
  TC:15  AU: Kadhim, A.;Hmood, A.;Abu Hassan, H.;
19:81:5     Microstructure and thermoelectric properties of p-type Bi2Te3-Sb2Te3 alloys produced by rapid solidification and spark plasma sintering
DOI:10.1016/j.jallcom.2010.03.114  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:12  AU: Moon, ChulDong;Shin, Sumin;Kim, DoHyang;Kim, Taek-Soo;
19:81:6     Hydrothermal synthesis and thermoelectric properties of nanostructured Bi0.5Sb1.5Te3 compounds
DOI:10.1016/j.materresbull.2010.11.024  JN:MATERIALS RESEARCH BULLETIN  PY:2011
  TC:9  AU: Zhang, Yanhua;Xu, Guiying;Mi, Jianli;Han, Fei;Wang, Ze;Ge, Changchun;
19:81:7     Fabrication of a CoSb3-based thermoelectric module
DOI:10.1016/j.mssp.2010.10.016  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2010
  TC:15  AU: Zhao, Degang;Tian, Changwen;Tang, Shouqiu;Liu, Yunteng;Jiang, Likun;Chen, Lidong;
19:81:8     Characterizations of solid-state microwave-synthesized Sb2Te3-based alloys with various compositions of bismuth in Bi2xSb2(1-x)Te3
DOI:10.1016/j.mssp.2012.04.006  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2012
  TC:8  AU: Kadhim, A.;Hmood, A.;Abu Hassan, H.;
19:81:9     Electrical characterization of thermoelectric generators based on p-type Bi0.4Sb1.6Se2.4Te0.6 and n-type Bi2Se0.6Te2.4 bulk thermoelectric materials
DOI:10.1016/j.matlet.2013.01.108  JN:MATERIALS LETTERS  PY:2013
  TC:3  AU: Kadhim, A.;Hmood, A.;Abu Hassan, H.;
19:81:10     Structural and electrical transport properties of Se-substituted p-type Bi2Se3xTe3(1-x) (x=0.0-1.0) alloys prepared by solid-state microwave synthesis
DOI:10.1016/j.mssp.2014.04.017  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2014
  TC:2  AU: Kadhim, A.;Hmood, A.;Abu Hassan, H.;
19:81:11     Skutterudite Unicouple Characterization for Energy Harvesting Applications
DOI:10.1002/aenm.201200503  JN:ADVANCED ENERGY MATERIALS  PY:2013
  TC:10  AU: Muto, Andrew;Yang, Jian;Poudel, Bed;Ren, Zhifeng;Chen, Gang;
19:81:12     The effects of diffusion barrier layers on the microstructural and electrical properties in CoSb3 thermoelectric modules
DOI:10.1016/j.jallcom.2014.07.066  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Song, Byeongcheol;Lee, Seokhee;Cho, Sungmee;Song, Min-Jung;Choi, Soon-Mok;Seo, Won-Seon;Yoon, Youngsoo;Lee, Wooyoung;
19:81:13     Comparison of space- and ground-grown Bi2Se0.21Te2.79 thermoelectric crystals
DOI:10.1016/j.jcrysgro.2009.12.061  JN:JOURNAL OF CRYSTAL GROWTH  PY:2010
  TC:12  AU: Zhou, Yanfei;Li, Xiaoya;Bai, Shengqiang;Chen, Lidong;
19:81:14     Novel hexagonal rods and characterization of Bi0.4Sb1.6Se3xTe3(1-x) using solid-state microwave synthesis
DOI:10.1016/j.matlet.2012.04.144  JN:MATERIALS LETTERS  PY:2012
  TC:7  AU: Kadhim, A.;Hmood, A.;Abu Hassan, H.;
19:82:1     A TEG Efficiency Booster with Buck-Boost Conversion
DOI:10.1007/s11664-012-2407-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Wu, Hongfei;Sun, Kai;Zhang, Junjun;Xing, Yan;
19:82:2     A Thermoelectric Generation System and Its Power Electronics Stage
DOI:10.1007/s11664-012-2034-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:15  AU: Gao, Junling;Sun, Kai;Ni, Longxian;Chen, Min;Kang, Zhengdong;Zhang, Li;Xing, Yan;Zhang, Jianzhong;
19:82:3     Evaluation of Power Conditioning Architectures for Energy Production Enhancement in Thermoelectric Generator Systems
DOI:10.1007/s11664-013-2795-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Wu, Hongfei;Sun, Kai;Chen, Min;Xing, Yan;
19:82:4     Scalable Cost/Performance Analysis for Thermoelectric Waste Heat Recovery Systems
DOI:10.1007/s11664-012-2049-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:7  AU: Yazawa, Kazuaki;Shakouri, Ali;
19:82:5     Experimental Study of a Thermoelectric Generation System
DOI:10.1007/s11664-011-1536-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:13  AU: Zhu, Junpeng;Gao, Junling;Chen, Min;Zhang, Jianzhong;Du, Qungui;Rosendahl, L. A.;Suzuki, R. O.;
19:82:6     Hardware Implementation of Maximum Power Point Tracking for Thermoelectric Generators
DOI:10.1007/s11664-014-3046-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Maganga, Othman;Phillip, Navneesh;Burnham, Keith J.;Montecucco, Andrea;Siviter, Jonathan;Knox, Andrew;Simpson, Kevin;
19:82:7     Development of 100-W High-Efficiency MPPT Power Conditioner and Evaluation of TEG System with Battery Load
DOI:10.1007/s11664-010-1499-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:5  AU: Nagayoshi, Hiroshi;Nakabayashi, Tatsuya;Maiwa, Hiroshi;Kajikawa, Takenobu;
19:82:8     A 42-V Electrical and Hybrid Driving System Based on a Vehicular Waste-Heat Thermoelectric Generator
DOI:10.1007/s11664-012-2068-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:8  AU: Deng, Y. D.;Fan, W.;Ling, K.;Su, C. Q.;
19:82:9     Evaluation of High Step-Up Power Electronics Stages in Thermoelectric Generator Systems
DOI:10.1007/s11664-013-2557-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Sun, Kai;Ni, Longxian;Chen, Min;Wu, Hongfei;Xing, Yan;Rosendahl, Lasse;
19:82:10     Individual Module Maximum Power Point Tracking for Thermoelectric Generator Systems
DOI:10.1007/s11664-013-2571-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:8  AU: Vadstrup, Casper;Schaltz, Erik;Chen, Min;
19:82:11     A Thermoelectric Generator Using Engine Coolant for Light-Duty Internal Combustion Engine-Powered Vehicles
DOI:10.1007/s11664-011-1580-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:14  AU: Kim, Shiho;Park, Soonseo;Kim, SunKook;Rhi, Seok-Ho;
19:82:12     A Digital Coreless Maximum Power Point Tracking Circuit for Thermoelectric Generators
DOI:10.1007/s11664-011-1602-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:7  AU: Kim, Shiho;Cho, Sungkyu;Kim, Namjae;Baatar, Nyambayar;Kwon, Jangwoo;
19:82:13     Procedure and Equipment for Measuring Parameters of Thermoelectric Generator Modules
DOI:10.1007/s11664-011-1619-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:8  AU: Anatychuk, L. I.;Havrylyuk, M. V.;
19:82:14     Thermal Optimization of the Heat Exchanger in the Vehicular Waste-Heat Thermoelectric Generations
DOI:10.1007/s11664-012-2095-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:7  AU: Su, C. Q.;Zhan, W. W.;Shen, S.;
19:82:15     A Power Conditioning Stage Based on Analog-Circuit MPPT Control and a Superbuck Converter for Thermoelectric Generators in Spacecraft Power Systems
DOI:10.1007/s11664-014-3045-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Sun, Kai;Wu, Hongfei;Cai, Yan;Xing, Yan;
19:82:16     Maximum Power Point Tracking Controller for Thermoelectric Generators with Peak Gain Control of Boost DC-DC Converters
DOI:10.1007/s11664-011-1884-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Park, Jungyong;Kim, Shiho;
19:82:17     A New Test Rig for Accurate Nonparametric Measurement and Characterization of Thermoelectric Generators
DOI:10.1007/s11664-013-2484-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:7  AU: Montecucco, Andrea;Buckle, James;Siviter, Jonathan;Knox, Andrew R.;
19:82:18     Evaluation of Temperature-Dependent Effective Material Properties and Performance of a Thermoelectric Module
DOI:10.1007/s11664-012-2456-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Chien, Heng-Chieh;Chu, En-Ting;Hsieh, Huey-Lin;Huang, Jing-Yi;Wu, Sheng-Tsai;Dai, Ming-Ji;Liu, Chun-Kai;Yao, Da-Jeng;
19:82:19     Control Strategy for a 42-V Waste-Heat Thermoelectric Vehicle
DOI:10.1007/s11664-012-2312-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Deng, Y. D.;Fan, W.;Tang, Z. B.;Chang, X. Y.;Ling, K.;Su, C. Q.;
19:82:20     Power Conditioner with Variable Switching Control for Thermoelectric Generator Systems
DOI:10.1007/s11664-013-2643-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Nagayoshi, Hiroshi;Maiwa, Hiroshi;Kajikawa, Takenobu;
19:83:1     Antisite defects in n-type Bi-2(Te,Se)(3): Experimental and theoretical studies
DOI:10.1063/1.4870818  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:10  AU: Oh, M. W.;Son, J. H.;Kim, B. S.;Park, S. D.;Min, B. K.;Lee, H. W.;
19:83:2     Effect of ball milling time on the thermoelectric properties of p-type (Bi,Sb)(2)Te-3
DOI:10.1016/j.jallcom.2013.03.062  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:17  AU: Son, J. H.;Oh, M. W.;Kim, B. S.;Park, S. D.;Min, B. K.;Kim, M. H.;Lee, H. W.;
19:83:3     Effect of Ag or Sb addition on the thermoelectric properties of PbTe
DOI:10.1063/1.3517088  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:29  AU: Dow, H. S.;Oh, M. W.;Kim, B. S.;Park, S. D.;Min, B. K.;Lee, H. W.;Wee, D. M.;
19:83:4     Improvement of Thermoelectric Properties through Controlling the Carrier Concentration of AgPb18SbTe20 Alloys by Sb Addition
DOI:10.1007/s13391-012-2207-7  JN:ELECTRONIC MATERIALS LETTERS  PY:2012
  TC:5  AU: Lee, J. K.;Oh, M. W.;Park, S. D.;Kim, B. S.;Min, B. K.;Kim, M. H.;Lee, H. W.;
19:83:5     Thermoelectric properties of non-stoichiometric MnTe compounds
DOI:10.1007/s13391-013-0035-z  JN:ELECTRONIC MATERIALS LETTERS  PY:2013
  TC:6  AU: Kim, Bongseo;Kim, Inhye;Min, Bok-ki;Oh, Minwook;Park, Sudong;Lee, Heewoong;
19:83:6     Enhancement of Thermoelectric Properties of Mg2Si Compounds with Bi Doping through Carrier Concentration Tuning
DOI:10.1007/s13391-014-4148-9  JN:ELECTRONIC MATERIALS LETTERS  PY:2014
  TC:1  AU: Lee, Ji Eun;Cho, Sang-Hum;Oh, Min-Wook;Ryu, Byungi;Joo, Sung-Jae;Kim, Bong-Seo;Min, Bok-Ki;Lee, Hee-Woong;Park, Su-Dong;
19:83:7     Fs-pulsed laser deposition of PbTe and PbTe/Ag thermoelectric thin films
DOI:10.1007/s00339-014-8526-9  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2014
  TC:1  AU: Bellucci, A.;Cappelli, E.;Orlando, S.;Medici, L.;Mezzi, A.;Kaciulis, S.;Polini, R.;Trucchi, D. M.;
19:83:8     Influence of Mn on Crystal Structure and Thermoelectric Properties of GeTe Compounds
DOI:10.1007/s13391-014-4149-8  JN:ELECTRONIC MATERIALS LETTERS  PY:2014
  TC:2  AU: Lee, J. K.;Oh, M. W.;Kim, B. S.;Min, B. K.;Lee, H. W.;Park, S. D.;
19:83:9     Effect of ball milling and post treatment on crystal defects and transport properties of Bi-2(Se,Te)(3) compounds
DOI:10.1063/1.3658256  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:12  AU: Lin, Sin-Shien;Liao, Chien-Neng;
19:83:10     Electron Transport Properties of Rapidly Solidified (GeTe)(x)(AgSbTe2)(1-x) Pseudobinary Thermoelectric Compounds
DOI:10.3365/eml.2010.12.181  JN:ELECTRONIC MATERIALS LETTERS  PY:2010
  TC:2  AU: Kim, B. S.;Kim, I. H.;Lee, J. K.;Min, B. K.;Oh, M. W.;Park, S. D.;Lee, H. W.;Kim, M. H.;
19:83:11     Natural Microstructure and Thermoelectric Performance of (GeTe)(80)(AgySb2-yTe3-y)(20)
DOI:10.1007/s11664-009-0993-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:5  AU: Yang, S. H.;Zhu, T. J.;Zhang, S. N.;Shen, J. J.;Zhao, X. B.;
19:83:12     Influence of Vanadium on the Defect Structure and Thermoelectric Properties of GeTe
DOI:10.1007/s11664-012-2423-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Nashchekina, O. N.;Rogacheva, E. I.;Vodorez, O. S.;
19:83:13     Thermoelectric Properties of Nano/microstructured p-Type Bi0.4Sb1.6Te3 Powders Fabricated by Mechanical Alloying and Vacuum Hot Pressing
DOI:10.1007/s11664-013-2850-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Lee, Pee-Yew;Hao, Joey;Chao, Tz-Yuan;Huang, Jing-Yi;Hsieh, Huey-Lin;Hsu, Hung-Chang;
19:84:1     Narrow Low-Frequency Spectrum and Heat Management by Thermocrystals
DOI:10.1103/PhysRevLett.110.025902  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:26  AU: Maldovan, Martin;
19:84:2     Thermal energy transport model for macro-to-nanograin polycrystalline semiconductors
DOI:10.1063/1.3665211  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:11  AU: Maldovan, Martin;
19:84:3     Thermal conductivity of semiconductor nanowires from micro to nano length scales
DOI:10.1063/1.3677973  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:10  AU: Maldovan, Martin;
19:84:4     Phonon interference and thermal conductance reduction in atomic-scale metamaterials
DOI:10.1103/PhysRevB.89.180301  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Han, Haoxue;Potyomina, Lyudmila G.;Darinskii, Alexandre A.;Volz, Sebastian;Kosevich, Yuriy A.;
19:84:5     Transition between ballistic and diffusive heat transport regimes in silicon materials
DOI:10.1063/1.4752234  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:4  AU: Maldovan, Martin;
19:84:6     Micro to nano scale thermal energy conduction in semiconductor thin films
DOI:10.1063/1.3607295  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:11  AU: Maldovan, Martin;
19:84:7     Molecular dynamics simulations for the prediction of thermal conductivity of bulk silicon and silicon nanowires: Influence of interatomic potentials and boundary conditions
DOI:10.1063/1.3615826  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:19  AU: da Cruz, Carolina Abs;Termentzidis, Konstantinos;Chantrenne, Patrice;Kleber, Xavier;
19:84:8     Comparison of thermal conductivity in nanodot nanocomposites and nanograined nanocomposites
DOI:10.1063/1.3436568  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:5  AU: Kang, Chanyoung;Kim, Hyoungjoon;Park, Sung-Geun;Kim, Woochul;
19:84:9     Phononic band gap structures based on compacted nanoceramics
DOI:10.1063/1.4825311  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Salamatov, E.;Taranov, A.;Khazanov, E.;
19:84:10     Elastic constants determined by nanoindentation for p-type thermoelectric half-Heusler
DOI:10.1063/1.4894166  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Gahlawat, S.;He, R.;Chen, S.;Wheeler, L.;Ren, Z. F.;White, K. W.;
19:84:11     Prediction of the thermal conductivity of ZnO nanobelts
DOI:10.1063/1.4759317  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Lahoucine, Cherif Ould;Chantrenne, Patrice;
19:84:12     On the Phononic Bandgap of Carbon Nanotubes
DOI:10.1155/2013/525070  JN:JOURNAL OF NANOMATERIALS  PY:2013
  TC:1  AU: Yamamoto, Kohei;Ishii, Hiroyuki;Kobayashi, Nobuhiko;Hirose, Kenji;
19:85:1     Local Density of States and Interface Effects in Semimetallic ErAs Nanoparticles Embedded in GaAs
DOI:10.1103/PhysRevLett.107.036806  JN:PHYSICAL REVIEW LETTERS  PY:2011
  TC:7  AU: Kawasaki, Jason K.;Timm, Rainer;Delaney, Kris T.;Lundgren, Edvin;Mikkelsen, Anders;Palmstrom, Chris J.;
19:85:2     Carrier transfer from InAs quantum dots to ErAs metal nanoparticles
DOI:10.1063/1.4895519  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Haughn, C. R.;Steenbergen, E. H.;Bissell, L. J.;Chen, E. Y.;Eyink, K. G.;Zide, J. M. O.;Doty, M. F.;
19:85:3     Charge carrier relaxation processes in TbAs nanoinclusions in GaAs measured by optical-pump THz-probe transient absorption spectroscopy
DOI:10.1103/PhysRevB.89.045418  JN:PHYSICAL REVIEW B  PY:2014
  TC:1  AU: Vanderhoef, Laura R.;Azad, Abul K.;Bomberger, Cory C.;Chowdhury, Dibakar Roy;Chase, D. Bruce;Taylor, Antoinette J.;Zide, Joshua M. O.;Doty, Matthew F.;
19:85:4     Enhanced conductivity of tunnel junctions employing semimetallic nanoparticles through variation in growth temperature and deposition
DOI:10.1063/1.3442909  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:11  AU: Nair, Hari P.;Crook, Adam M.;Bank, Seth R.;
19:85:5     Growth of embedded ErAs nanorods on (411)A and (411)B GaAs by molecular beam epitaxy
DOI:10.1016/j.jcrysgro.2010.04.031  JN:JOURNAL OF CRYSTAL GROWTH  PY:2010
  TC:6  AU: Buehl, Trevor E.;LeBeau, James M.;Stemmer, Susanne;Scarpulla, Michael A.;Palmstrom, Christopher J.;Gossard, Arthur C.;
19:85:6     Surface-Mediated Tunable Self-Assembly of Single Crystal Semimetallic ErSb/GaSb Nanocomposite Structures
DOI:10.1021/nl4012563  JN:NANO LETTERS  PY:2013
  TC:2  AU: Kawasaki, Jason K.;Schultz, Brian D.;Lu, Hong;Gossard, Arthur C.;Pamstrom, Chris J.;
19:85:7     Self-Assembled ErSb Nanostructures with Optical Applications in Infrared and Terahertz
DOI:10.1021/nl402436g  JN:NANO LETTERS  PY:2014
  TC:0  AU: Lu, Hong;Ouellette, Daniel G.;Preu, Sascha;Watts, Justin D.;Zaks, Benjamin;Burke, Peter G.;Sherwin, Mark S.;Gossard, Arthur C.;
19:85:8     Theoretical study of Schottky-barrier formation at epitaxial rare-earth-metal/semiconductor interfaces
DOI:10.1103/PhysRevB.81.165312  JN:PHYSICAL REVIEW B  PY:2010
  TC:6  AU: Delaney, Kris T.;Spaldin, Nicola A.;Van de Walle, Chris G.;
19:85:9     Size effects on the electronic structure of ErSb nanoparticles embedded in the GaSb(001) surface
DOI:10.1103/PhysRevB.87.035419  JN:PHYSICAL REVIEW B  PY:2013
  TC:2  AU: Kawasaki, J. K.;Schultz, B. D.;Palmstrom, C. J.;
19:85:10     Surface segregation effects of erbium in GaAs growth and their implications for optical devices containing ErAs nanostructures
DOI:10.1063/1.3565168  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:5  AU: Crook, Adam M.;Nair, Hari P.;Bank, Seth R.;
19:85:11     Conductivity and structure of ErAs nanoparticles embedded in GaAs pn junctions analyzed via conductive atomic force microscopy
DOI:10.1063/1.4728116  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:0  AU: Park, K. W.;Dasika, V. D.;Nair, H. P.;Crook, A. M.;Bank, S. R.;Yu, E. T.;
19:85:12     Lattice distortion in single crystal rare-earth arsenide/GaAs nanocomposites
DOI:10.1063/1.4865905  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Young, A. J.;Schultz, B. D.;Palmstrom, C. J.;
19:85:13     Quantification of trap state densities in GaAs heterostructures grown at varying rates using intensity-dependent time resolved photoluminescence
DOI:10.1063/1.4802841  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:3  AU: Haughn, C. R.;Schmieder, K. J.;Zide, J. M. O.;Barnett, A.;Ebert, C.;Opila, R.;Doty, M. F.;
19:85:14     Cross-sectional scanning tunneling microscopy and spectroscopy of semimetallic ErAs nanostructures embedded in GaAs
DOI:10.1116/1.3547713  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2011
  TC:4  AU: Kawasaki, Jason K.;Timm, Rainer;Buehl, Trevor E.;Lundgren, Edvin;Mikkelsen, Anders;Gossard, Arthur C.;Palmstrom, Chris J.;
19:85:15     Scanning capacitance microscopy of ErAs nanoparticles embedded in GaAs pn junctions
DOI:10.1063/1.3644144  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:1  AU: Park, K. W.;Nair, H. P.;Crook, A. M.;Bank, S. R.;Yu, E. T.;
19:85:16     Embedded ErAs nanorods on GaAs(n11) substrates by molecular beam epitaxy
DOI:10.1116/1.3549888  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2011
  TC:1  AU: Buehl, Trevor E.;Palmstrom, Christopher J.;Gossard, Arthur C.;
19:85:17     Molecular beam epitaxy of ErGaAs alloys on GaAs (001) substrates
DOI:10.1016/j.jcrysgro.2012.12.043  JN:JOURNAL OF CRYSTAL GROWTH  PY:2013
  TC:1  AU: Jin, Ri Guo;Yagi, Shuhei;Hijikata, Yasuto;Kuboya, Shigeyuki;Onabe, Kentaro;Katayama, Ryuji;Yaguchi, Hiroyuki;
19:86:1     Cation Disorder and Bond Anharmonicity Optimize the Thermoelectric Properties in Kinetically Stabilized Rocksalt AgBiS2 Nanocrystals
DOI:10.1021/cm401630d  JN:CHEMISTRY OF MATERIALS  PY:2013
  TC:21  AU: Guin, Satya N.;Biswas, Kanishka;
19:86:2     Nanostructuring, carrier engineering and bond anharmonicity synergistically boost the thermoelectric performance of p-type AgSbSe2-ZnSe
DOI:10.1039/c3ta14901c  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:20  AU: Guin, Satya N.;Negi, Devendra S.;Datta, Ranjan;Biswas, Kanishka;
19:86:3     High Thermoelectric and Reversible p-n-p Conduction Type Switching Integrated in Dimetal Chalcogenide
DOI:10.1021/ja308936b  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:25  AU: Xiao, Chong;Qin, Xinming;Zhang, Jie;An, Ran;Xu, Jie;Li, Kun;Cao, Boxiao;Yang, Jinlong;Ye, Bangjiao;Xie, Yi;
19:86:4     Solid-Solutioned Homojunction Nanoplates with Disordered Lattice: A Promising Approach toward "Phonon Glass Electron Crystal" Thermoelectric Materials
DOI:10.1021/ja3020204  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:12  AU: Xiao, Chong;Xu, Jie;Cao, Boxiao;Li, Kun;Kong, Mingguang;Xie, Yi;
19:86:5     High Thermoelectric Properties of n-Type AgBiSe2
DOI:10.1021/ja312474n  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2013
  TC:11  AU: Pan, Lin;Berardan, David;Dragoe, Nita;
19:86:6     Direct evidence of strong local ferroelectric ordering in a thermoelectric semiconductor
DOI:10.1063/1.4895936  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Aggarwal, Leena;Sekhon, Jagmeet S.;Guin, Satya N.;Arora, Ashima;Negi, Devendra S.;Datta, Ranjan;Biswas, Kanishka;Sheett, Goutam;
19:86:7     Characterization of Bi2S3 nanorods prepared at room temperature
DOI:10.1016/j.mssp.2013.11.022  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2014
  TC:4  AU: Deshpande, M. P.;Sakariya, Pallavi N.;Bhatt, Sandip V.;Garg, Nitya;Patel, Kamakshi;Chaki, S. H.;
19:86:8     Electrical transport properties of semiconducting chromium molybdenum diselenide single crystals
DOI:10.1016/j.mssp.2014.02.052  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2014
  TC:0  AU: Desai, Priyanka;Patel, D. D.;Jani, A. R.;
19:87:1     Enhanced thermopower and energy filtering effect from synergetic scattering at heterojunction potentials in the thermoelectric composites with semiconducting nanoinclusions
DOI:10.1016/j.jallcom.2012.12.048  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:12  AU: Yang, X. H.;Qin, X. Y.;Zhang, J.;Li, D.;Xin, H. X.;Liu, M.;
19:87:2     Enhanced thermopower and thermoelectric performance through energy filtering of carriers in (Bi2Te3)(0.2)(Sb2Te3)(0.8) bulk alloy embedded with amorphous SiO2 nanoparticles
DOI:10.1063/1.4817074  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:7  AU: Dou, Y. C.;Qin, X. Y.;Li, D.;Li, L. L.;Zou, T. H.;Wang, Q. Q.;
19:87:3     Giant scattering parameter and enhanced thermoelectric properties originating from synergetic scattering of electrons in semiconductors with metal nanoinclusions
DOI:10.1063/1.3515298  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:11  AU: Yang, X. H.;Qin, X. Y.;
19:87:4     Enhanced thermoelectric performance via carrier energy filtering effect in beta-Zn4Sb3 alloy bulk embedded with (Bi2Te3)(0.2)(Sb2Te3)(0.8)
DOI:10.1063/1.4864220  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:4  AU: Zou, T. H.;Qin, X. Y.;Li, D.;Ren, B. J.;Sun, G. L.;Dou, Y. C.;Li, Y. Y.;Li, L. L.;Zhang, J.;Xin, H. X.;
19:87:5     Simultaneous enhancement in thermoelectric power factor and phonon blocking in hierarchical nanostructured beta-Zn4Sb3-Cu3SbSe4
DOI:10.1063/1.4861156  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:2  AU: Zou, T. H.;Qin, X. Y.;Li, D.;Sun, G. L.;Dou, Y. C.;Wang, Q. Q.;Ren, B. J.;Zhang, J.;Xin, H. X.;Li, Y. Y.;
19:87:6     Enhanced thermoelectric performance of beta-Zn4Sb3 based composites incorporated with large proportion of nanophase Cu3SbSe4
DOI:10.1016/j.jallcom.2013.11.049  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Zou, T. H.;Qin, X. Y.;Li, D.;Li, L. L.;Sun, G. L.;Wang, Q. Q.;Zhang, J.;Xin, H. X.;Liu, Y. F.;Song, C. J.;
19:87:7     Enhanced thermoelectric performance through energy-filtering effects in nanocomposites dispersed with metallic particles
DOI:10.1063/1.4755768  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:7  AU: Liu, M.;Qin, X. Y.;
19:87:8     Enhanced energy filtering and thermopower from synergetic scatterings of electrons at interface potential barriers (or wells) in semiconductor-based nanocomposites dispersed with metallic particles
DOI:10.1063/1.3669447  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:2  AU: Yang, X. H.;Qin, X. Y.;
19:87:9     A simultaneous increase in the ZT and the corresponding critical temperature of p-type Bi0.4Sb1.6Te3 by a combined strategy of dual nanoinclusions and carrier engineering
DOI:10.1039/c4ta04558k  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:3  AU: Xiao, Ye;Yang, Jun-you;Jiang, Qing-hui;Fu, Liang-wei;Luo, Yu-bo;Liu, Ming;Zhang, Dan;Zhang, Ming-yang;Li, Wei-xin;Peng, Jiang-ying;Chen, Fu-qiang;
19:87:10     Resonant distortion of electronic density of states and enhancement of thermoelectric properties of beta-Zn4Sb3 by Pr doping
DOI:10.1063/1.4795840  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:4  AU: Wang, Q. Q.;Qin, X. Y.;Li, D.;Sun, R. R.;Zou, T. H.;Wang, N. N.;
19:88:1     Phonon wave-packet interference and phonon tunneling based energy transport across nanostructured thin films
DOI:10.1063/1.3458831  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:18  AU: Tian, Z. T.;White, B. E., Jr.;Sun, Y.;
19:88:2     Thermal rectification in bulk materials with asymmetric shape
DOI:10.1063/1.3559615  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:23  AU: Sawaki, D.;Kobayashi, W.;Moritomo, Y.;Terasaki, I.;
19:88:3     Application of the wavelet transform to nanoscale thermal transport
DOI:10.1103/PhysRevB.86.104306  JN:PHYSICAL REVIEW B  PY:2012
  TC:2  AU: Baker, Christopher H.;Jordan, Donald A.;Norris, Pamela M.;
19:88:4     Phonon wave-packet simulations of Ar/Kr interfaces for thermal rectification
DOI:10.1063/1.3517159  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:8  AU: Roberts, N. A.;Walker, D. G.;
19:88:5     Out-of-plane thermal conductivity of polycrystalline silicon nanofilm by molecular dynamics simulation
DOI:10.1063/1.3633232  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:8  AU: Ju, Shenghong;Liang, Xingang;Xu, Xianghua;
19:88:6     Investigation on interfacial thermal resistance and phonon scattering at twist boundary of silicon
DOI:10.1063/1.4790178  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Ju, Sheng-Hong;Liang, Xin-Gang;
19:88:7     Investigation of argon nanocrystalline thermal conductivity by molecular dynamics simulation
DOI:10.1063/1.3510523  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:11  AU: Ju, Shenghong;Liang, Xingang;
19:88:8     Thermal rectification and phonon scattering in asymmetric silicon nanoribbons
DOI:10.1063/1.4737585  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Ju, Shenghong;Liang, Xingang;
19:88:9     The importance of anharmonicity in thermal transport across solid-solid interfaces
DOI:10.1063/1.4859555  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:4  AU: Wu, Xufei;Luo, Tengfei;
19:88:10     Inhomogeneous thermal conductivity enhances thermoelectric cooling
DOI:10.1063/1.4903547  JN:AIP ADVANCES  PY:2014
  TC:1  AU: Lu, Tingyu;Zhou, Jun;Li, Nianbei;Yang, Ronggui;Li, Baowen;
19:88:11     Thermal conductivity of nanocrystalline silicon by direct molecular dynamics simulation
DOI:10.1063/1.4752266  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Ju, Shenghong;Liang, Xingang;
19:88:12     Thermal rectification and phonon scattering in silicon nanofilm with cone cavity
DOI:10.1063/1.4749394  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Ju, Shenghong;Liang, Xingang;
19:88:13     Thermal conduction inhomogeneity of nanocrystalline diamond films by dual-side thermoreflectance
DOI:10.1063/1.4796168  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:4  AU: Bozorg-Grayeli, Elah;Sood, Aditya;Asheghi, Mehdi;Gambin, Vincent;Sandhu, Rajinder;Feygelson, Tatyana I.;Pate, Bradford B.;Hobart, Karl;Goodson, Kenneth E.;
19:88:14     A Trial Thermal Rectifier
DOI:10.1007/s11664-010-1302-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:5  AU: Kobayashi, W.;Teraoka, Y.;Terasaki, I.;
19:89:1     Role of oxygen on microstructure and thermoelectric properties of silicon nanocomposites
DOI:10.1063/1.3658021  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:23  AU: Schierning, G.;Theissmann, R.;Stein, N.;Petermann, N.;Becker, A.;Engenhorst, M.;Kessler, V.;Geller, M.;Beckel, A.;Wiggers, H.;Schmechel, R.;
19:89:2     From nanoparticles to nanocrystalline bulk: percolation effects in field assisted sintering of silicon nanoparticles
DOI:10.1088/0957-4484/22/13/135601  JN:NANOTECHNOLOGY  PY:2011
  TC:13  AU: Schwesig, D.;Schierning, G.;Theissmann, R.;Stein, N.;Petermann, N.;Wiggers, H.;Schmechel, R.;Wolf, D. E.;
19:89:3     Electrothermally driven current vortices in inhomogeneous bipolar semiconductors
DOI:10.1103/PhysRevB.84.045205  JN:PHYSICAL REVIEW B  PY:2011
  TC:7  AU: Fu, D.;Levander, A. X.;Zhang, R.;Ager, J. W., III;Wu, J.;
19:89:4     High Temperature Thermoelectric Device Concept Using Large Area PN Junctions
DOI:10.1007/s11664-014-3073-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Chavez, R.;Angst, S.;Hall, J.;Stoetzel, J.;Kessler, V.;Bitzer, L.;Maculewicz, F.;Benson, N.;Wiggers, H.;Wolf, D.;Schierning, G.;Schmechel, R.;
19:89:5     The effect of Peltier heat during current activated densification
DOI:10.1063/1.4731272  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:3  AU: Becker, A.;Angst, S.;Schmitz, A.;Engenhorst, M.;Stoetzel, J.;Gautam, D.;Wiggers, H.;Wolf, D. E.;Schierning, G.;Schmechel, R.;
19:89:6     A Thermoelectric Generator Concept Using a p-n Junction: Experimental Proof of Principle
DOI:10.1007/s11664-012-2399-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Becker, Andre;Chavez, Ruben;Petermann, Nils;Schierning, Gabi;Schmechel, Roland;
19:89:7     Thermoelectric Properties of Nanocrystalline Silicon from a Scaled-Up Synthesis Plant
DOI:10.1002/adem.201200233  JN:ADVANCED ENGINEERING MATERIALS  PY:2013
  TC:11  AU: Kessler, Victor;Gautam, Devendraprakash;Huelser, Tim;Spree, Mathias;Theissmann, Ralf;Winterer, Markus;Wiggers, Hartmut;Schierning, Gabi;Schmechel, Roland;
19:89:8     A sintered nanoparticle p-n junction observed by a Seebeck microscan
DOI:10.1063/1.3693609  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Becker, A.;Schierning, G.;Theissmann, R.;Meseth, M.;Benson, N.;Schmechel, R.;Schwesig, D.;Petermann, N.;Wiggers, H.;Ziolkowski, P.;
19:89:9     The realization of a pn-diode using only silicon nanoparticles
DOI:10.1016/j.scriptamat.2012.04.039  JN:SCRIPTA MATERIALIA  PY:2012
  TC:7  AU: Meseth, M.;Ziolkowski, P.;Schierning, G.;Theissmann, R.;Petermann, N.;Wiggers, H.;Benson, N.;Schmechel, R.;
19:89:10     Low-resistivity bulk silicon prepared by hot-pressing boron- and phosphorus-hyperdoped silicon nanocrystals
DOI:10.1063/1.4903550  JN:AIP ADVANCES  PY:2014
  TC:2  AU: Luan, Qingbin;Ni, Zhenyi;Koura, Setsuko;Zhu, Tiejun;Yang, Deren;Pi, Xiaodong;
19:89:11     Thermoelectric internal current loops inside inhomogeneous systems
DOI:10.1103/PhysRevB.85.033201  JN:PHYSICAL REVIEW B  PY:2012
  TC:5  AU: Apertet, Y.;Ouerdane, H.;Goupil, C.;Lecoeur, Ph;
19:89:12     The role of non-equilibrium charge carriers in thermoelectric cooling
DOI:10.1063/1.4813514  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Gurevich, Yu. G.;Velazquez-Perez, J. E.;
19:89:13     Percolation transport and filament formation in nanocrystalline silicon nanowires
DOI:10.1063/1.4803049  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Fischer, S.;Osorio, C.;Williams, N. E.;Ayas, S.;Silva, H.;Gokirmak, A.;
19:89:14     Fabrication of High-Temperature-Stable Thermoelectric Generator Modules Based on Nanocrystalline Silicon
DOI:10.1007/s11664-014-3093-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Kessler, V.;Dehnen, M.;Chavez, R.;Engenhorst, M.;Stoetzel, J.;Petermann, N.;Hesse, K.;Huelser, T.;Spree, M.;Stiewe, C.;Ziolkowski, P.;Schierning, G.;Schmechel, R.;
19:89:15     Thermoelectric Properties of Nanocrystalline Silicon from a Scaled-Up Synthesis Plant (vol 15, pg 379, 2013)
DOI:10.1002/adem.201300182  JN:ADVANCED ENGINEERING MATERIALS  PY:2013
  TC:0  AU: Kessler, Victor;Gautam, Devendraprakash;Huelser, Tim;Spree, Mathias;Theissmann, Ralf;Winterer, Markus;Wiggers, Hartmut;Schierning, Gabi;Schmechel, Roland;
19:89:16     Grown-in precipitates in heavily phosphorus-doped Czochralski silicon
DOI:10.1063/1.3682112  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Zeng, Yuheng;Ma, Xiangyang;Chen, Jiahe;Song, Weijie;Wang, Weiyan;Gong, Longfei;Tian, Daxi;Yang, Deren;
19:90:1     Reduction of the thermal conductivity in free-standing silicon nano-membranes investigated by non-invasive Raman thermometry
DOI:10.1063/1.4861796  JN:APL MATERIALS  PY:2014
  TC:9  AU: Chavez-Angel, E.;Reparaz, J. S.;Gomis-Bresco, J.;Wagner, M. R.;Cuffe, J.;Graczykowski, B.;Shchepetov, A.;Jiang, H.;Prunnila, M.;Ahopelto, J.;Alzina, F.;Torres, C. M. Sotomayor;
19:90:2     Phonons in Slow Motion: Dispersion Relations in Ultrathin Si Membranes
DOI:10.1021/nl301204u  JN:NANO LETTERS  PY:2012
  TC:27  AU: Cuffe, John;Chavez, Emigdio;Shchepetov, Andrey;Chapuis, Pierre-Olivier;El Boudouti, El Houssaine;Alzina, Francesc;Kehoe, Timothy;Gomis-Bresco, Jordi;Dudek, Damian;Pennec, Yan;Djafari-Rouhani, Bahram;Prunnila, Mika;Ahopelto, Jouni;Torres, Clivia M. Sotomayor;
19:90:3     Lifetimes of Confined Acoustic Phonons in Ultrathin Silicon Membranes
DOI:10.1103/PhysRevLett.110.095503  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:16  AU: Cuffe, J.;Ristow, O.;Chavez, E.;Shchepetov, A.;Chapuis, P-O;Alzina, F.;Hettich, M.;Prunnila, M.;Ahopelto, J.;Dekorsy, T.;Sotomayor Torres, C. M.;
19:90:4     Ultra-thin free-standing single crystalline silicon membranes with strain control
DOI:10.1063/1.4807130  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:8  AU: Shchepetov, A.;Prunnila, M.;Alzina, F.;Schneider, L.;Cuffe, J.;Jiang, H.;Kauppinen, E. I.;Sotomayor Torres, C. M.;Ahopelto, J.;
19:90:5     AlGaN/GaN field effect transistors for power electronics-Effect of finite GaN layer thickness on thermal characteristics
DOI:10.1063/1.4831688  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Hodges, C.;Calvo, J. Anaya;Stoffels, S.;Marcon, D.;Kuball, M.;
19:90:6     Thermal Diffuse Scattering as a Probe of Large-Wave-Vector Phonons in Silicon Nanostructures
DOI:10.1103/PhysRevLett.110.205503  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:3  AU: Gopalakrishnan, Gokul;Holt, Martin V.;McElhinny, Kyle M.;Spalenka, Josef W.;Czaplewski, David A.;Schuelli, Tobias U.;Evans, Paul G.;
19:90:7     Phonon boundary scattering effect on thermal conductivity of thin films
DOI:10.1063/1.3622317  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:7  AU: Tang, G. H.;Zhao, Y.;Zhai, G. X.;Bi, C.;
19:90:8     In-plane thermal conductivity of sub-20 nm thick suspended mono- crystalline Si layers
DOI:10.1088/0957-4484/25/18/185402  JN:NANOTECHNOLOGY  PY:2014
  TC:0  AU: Ferrando-Villalba, P.;Lopeandia, A. F.;Abad, Ll;Llobet, J.;Molina-Ruiz, M.;Garcia, G.;Gerboles, M.;Alvarez, F. X.;Goni, A. R.;Munoz-Pascual, F. J.;Rodriguez-Viejo, J.;
19:90:9     Generation of phonons from electrostriction in small-core optical waveguides
DOI:10.1063/1.4801936  JN:AIP ADVANCES  PY:2013
  TC:6  AU: Laude, Vincent;Beugnot, Jean-Charles;
19:91:1     Clathrate Ba8Au16P30: The "Gold Standard" for Lattice Thermal Conductivity
DOI:10.1021/ja4052679  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2013
  TC:8  AU: Fulmer, James;Lebedev, Oleg I.;Roddatis, Vladimir V.;Kaseman, Derrick C.;Sen, Sabyasachi;Dolyniuk, Juli-Anna;Lee, Kathleen;Olenev, Andrei V.;Kovnir, Kirill;
19:91:2     Probing the Lower Limit of Lattice Thermal Conductivity in an Ordered Extended Solid: Gd117Co56Sn112, a Phonon Glass-Electron Crystal System
DOI:10.1021/ja300240g  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:10  AU: Schmitt, Devin C.;Haldolaarachchige, Neel;Xiong, Yimin;Young, David P.;Jin, Rongying;Chan, Julia Y.;
19:91:3     Structural disorder and magnetism in rare-earth (R) R117Co54+xSn112 +/- y
DOI:10.1016/j.jallcom.2012.12.137  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:5  AU: Mudryk, Y.;Manfrinetti, P.;Smetana, V.;Liu, J.;Fornasini, M. L.;Provino, A.;Pecharsky, V. K.;Miller, G. J.;Gschneidner, K. A., Jr.;
19:91:4     Antiferromagnetic cluster spin-glass behavior in Pr117Co54.5Sn115.2 - A compound with a giant unit cell
DOI:10.1016/j.jallcom.2014.02.087  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Liu, J.;Mudryk, Y.;Zou, J. D.;Pecharsky, V. K.;Gschneidner, K. A., Jr.;
19:91:5     Decoupling the Electrical Conductivity and Seebeck Coefficient in the RE2SbO2 Compounds through Local Structural Perturbations
DOI:10.1021/ja209652d  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:11  AU: Wang, Peng L.;Kolodiazhnyi, Taras;Yao, Jinlei;Mozharivskyj, Yurij;
19:91:6     Disorder-Controlled Electrical Properties in the Ho2Si1-xBixO2 Systems
DOI:10.1021/cm3033302  JN:CHEMISTRY OF MATERIALS  PY:2013
  TC:6  AU: Wang, Peng L.;Kolodiazhnyi, Taras;Yao, Jinlei;Mozharivskyj, Yurij;
19:91:7     A Metal-Insulator Transition in R2O2Bi with an Unusual Bi2- Square Net (R = Rare Earth or Y)
DOI:10.1021/ja111015p  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2011
  TC:14  AU: Mizoguchi, Hiroshi;Hosono, Hideo;
19:91:8     Heat capacity and thermal expansion of gadolinium tetraboride at low temperatures
DOI:10.1063/1.3694029  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:9  AU: Novikov, V. V.;Mitroshenkov, N. V.;Morozov, A. V.;Matovnikov, A. V.;Avdashchenko, D. V.;
19:91:9     The crystal structure and magnetic properties of Pr117Co56.7Ge112
DOI:10.1063/1.4794376  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Liu, J.;Smetana, V.;Gschneidner, K. A., Jr.;Miller, G. J.;Pecharsky, V. K.;
19:91:10     Synthesis, Crystal Structure, and Electronic Properties of the CaRE3SbO4 and Ca2RE8Sb3O10 phases (RE = Rare-Earth Metal)
DOI:10.1021/cm500157y  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:0  AU: Forbes, Scott;Yuan, Fang;Saparov, Bayrammurad;Sefat, Athena S.;Kosuda, Kosuke;Koodiazhnyi, Taras;Mozharivskyj, Yurij;
19:91:11     Crystal-structure and magnetic properties of the new ternary compound Pr117Co57Sn112
DOI:10.1016/j.jallcom.2009.10.254  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:7  AU: He, Wei;Zhang, Jiliang;Yan, Jialin;Fu, Yuechun;Zeng, Lingmin;
19:91:12     Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-delta O8, with RE = La, Sm, Gd, and Ho
DOI:10.1021/ja1027698  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2010
  TC:8  AU: Wang, Peng;Forbes, Scott;Kolodiazhnyi, Taras;Kosuda, Kosuke;Mozharivskyj, Yurij;
19:91:13     Spin glass and glass-like lattice behaviour in HoB66 at low temperatures
DOI:10.1080/14786435.2012.739291  JN:PHILOSOPHICAL MAGAZINE  PY:2013
  TC:3  AU: Novikov, V. V.;Avdashchenko, D. V.;Bud'ko, S. L.;Mitroshenkov, N. V.;Matovnikov, A. V.;Kim, H.;Tanatar, M. A.;Prozorov, R.;
19:91:14     The properties of lattice, electronic and magnetic subsystems of erbium tetraboride based on calorimetric data at temperatures of 2-300 K
DOI:10.1016/j.jallcom.2013.07.074  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:0  AU: Novikov, V. V.;Morozov, A. V.;Matovnikov, A. V.;Mitroshenkov, N. V.;Avdashchenko, D. V.;Kuznetsov, S. V.;Kornev, B. I.;Marakhina, O. A.;Novikova, V. V.;Bordacheva, E. O.;
19:92:1     On the thermal conductivity of particulate nanocomposites
DOI:10.1063/1.3593387  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:21  AU: Ordonez-Miranda, J.;Yang, Ronggui;Alvarado-Gil, J. J.;
19:92:2     Theoretical studies on the thermoelectric figure of merit of nanograined bulk silicon
DOI:10.1063/1.3478459  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:17  AU: Hao, Qing;Zhu, Gaohua;Joshi, Giri;Wang, Xiaowei;Minnich, Austin;Ren, Zhifeng;Chen, Gang;
19:92:3     General effective medium formulation for thermal analysis of a polycrystal-The influence of partially specular phonon transmission across grain boundaries
DOI:10.1063/1.4890362  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Hao, Qing;
19:92:4     A model for the effective thermal conductivity of metal-nonmetal particulate composites
DOI:10.1063/1.3688044  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:12  AU: Ordonez-Miranda, J.;Yang, Ronggui;Alvarado-Gil, J. J.;
19:92:5     Effective medium formulation for phonon transport analysis of nanograined polycrystals
DOI:10.1063/1.3675273  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:6  AU: Hao, Qing;
19:92:6     Effective heat conduction in hybrid sphere & wire nanodispersions
DOI:10.1063/1.4882279  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Behrang, A.;Grmela, M.;Dubois, C.;Turenne, S.;Lafleur, P. G.;Lebon, G.;
19:92:7     Effective heat conduction in dispersion of wires
DOI:10.1063/1.4865093  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:3  AU: Behrang, A.;Grmela, M.;Dubois, C.;Turenne, S.;Lafleur, P. G.;Lebon, G.;
19:92:8     Influence of structure disorder on the lattice thermal conductivity of polycrystals: A frequency-dependent phonon-transport study
DOI:10.1063/1.3675466  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Hao, Qing;
19:92:9     Influence of particle-matrix interface, temperature, and agglomeration on heat conduction in dispersions
DOI:10.1063/1.4812734  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:5  AU: Behrang, A.;Grmela, M.;Dubois, C.;Turenne, S.;Lafleur, P. G.;
19:92:10     Phonon-wall interactions and frequency-dependent thermal conductivity in nanowires
DOI:10.1063/1.3565138  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:6  AU: Sellitto, A.;Alvarez, F. X.;Jou, D.;
19:92:11     A crowding factor model for the thermal conductivity of particulate composites at non-dilute limit
DOI:10.1063/1.4818409  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:4  AU: Ordonez-Miranda, J.;Yang, Ronggui;Alvarado-Gil, J. J.;
19:92:12     Thermal conductivity of nanocomposites with high volume fractions of particles
DOI:10.1016/j.compscitech.2012.02.016  JN:COMPOSITES SCIENCE AND TECHNOLOGY  PY:2012
  TC:7  AU: Ordonez-Miranda, J.;Alvarado-Gil, J. J.;
19:92:13     Thermal diffusivity and mechanical properties of polymer matrix composites
DOI:10.1063/1.4764098  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Weidenfeller, Bernd;Anhalt, Mathias;Kirchberg, Stefan;
19:92:14     Influence of Filler Content, Particle Size and Temperature on Thermal Diffusivity of Polypropylene-Iron Silicon Composites
DOI:10.1002/app.32746  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2011
  TC:5  AU: Anhalt, M.;Weidenfeller, B.;
19:93:1     Optimization of power and efficiency of thermoelectric devices with asymmetric thermal contacts
DOI:10.1063/1.3679544  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:28  AU: Yazawa, Kazuaki;Shakouri, Ali;
19:93:2     Effective thermal conductivity in thermoelectric materials
DOI:10.1063/1.4807314  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:13  AU: Baranowski, Lauryn L.;Snyder, G. Jeffrey;Toberer, Eric S.;
19:93:3     Influence of electrical current variance and thermal resistances on optimum working conditions and geometry for thermoelectric energy harvesting
DOI:10.1063/1.4802668  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:10  AU: Gomez, Miguel;Reid, Rachel;Ohara, Brandon;Lee, Hohyun;
19:93:4     Comment on "Effective thermal conductivity in thermoelectric materials" [J. Appl. Phys. 113, 204904 (2013)]
DOI:10.1063/1.4869138  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:4  AU: Apertet, Y.;Ouerdane, H.;Goupil, C.;Lecoeur, Ph;
19:93:5     Influence of thermal environment on optimal working conditions of thermoelectric generators
DOI:10.1063/1.4897350  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Apertet, Y.;Ouerdane, H.;Goupil, C.;Lecoeur, Ph;
19:93:6     Response to "Comment on 'Effective thermal conductivity in thermoelectric materials'" [J. Appl. Phys. 113, 204904 (2013)]
DOI:10.1063/1.4869140  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Baranowski, Lauryn L.;Snyder, G. Jeffrey;Toberer, Eric S.;
19:93:7     Thermoelectric Power Generator Design for Maximum Power: It's All About ZT
DOI:10.1007/s11664-012-2299-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:9  AU: McCarty, R.;
19:93:8     Achieving Maximum Power in Thermoelectric Generation with Simple Power Electronics
DOI:10.1007/s11664-013-2804-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Youn, Nari;Lee, Hohyun;Wee, Daehyun;Gomez, Miguel;Reid, Rachel;Ohara, Brandon;
19:93:9     Investigation of the Effect of Electrical Current Variance on Thermoelectric Energy Harvesting
DOI:10.1007/s11664-013-2854-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Gomez, Miguel;Ohara, Brandon;Reid, Rachel;Lee, Hohyun;
19:93:10     Cost-Performance Analysis and Optimization of Fuel-Burning Thermoelectric Power Generators
DOI:10.1007/s11664-013-2480-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Yazawa, Kazuaki;Shakouri, Ali;
19:93:11     Comment on "Optimization of power and efficiency of thermoelectric devices with asymmetric thermal contacts" [J. Appl. Phys. 111, 024509 (2012)]
DOI:10.1063/1.4829017  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Lin, Bihong;
19:93:12     Response to "Comment on 'Optimization of power and efficiency of thermoelectric devices with asymmetric thermal contacts"" [J. Appl. Phys. 111, 024509 (2012)]
DOI:10.1063/1.4829018  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Yazawa, Kazuaki;Shakouri, Ali;
19:93:13     Integration of Thermoelectric Generators and Wood Stove to Produce Heat, Hot Water, and Electrical Power
DOI:10.1007/s11664-013-2545-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Goudarzi, A. M.;Mazandarani, P.;Panahi, R.;Behsaz, H.;Rezania, A.;Rosendahl, L. A.;
19:93:14     Cost-effective waste heat recovery using thermoelectric systems
DOI:10.1557/jmr.2012.79  JN:JOURNAL OF MATERIALS RESEARCH  PY:2012
  TC:6  AU: Yazawa, Kazuaki;Shakouri, Ali;
19:94:1     Evaluation of computational techniques for solving the Boltzmann transport equation for lattice thermal conductivity calculations
DOI:10.1103/PhysRevB.82.134301  JN:PHYSICAL REVIEW B  PY:2010
  TC:15  AU: Chernatynskiy, Aleksandr;Phillpot, Simon R.;
19:94:2     Lattice thermal conductivity: Computations and theory of the high-temperature breakdown of the phonon-gas model
DOI:10.1103/PhysRevB.82.224305  JN:PHYSICAL REVIEW B  PY:2010
  TC:10  AU: Sun, Tao;Allen, Philip B.;
19:94:3     Thermal conductivity of argon at high pressure from first principles calculations
DOI:10.1063/1.4817901  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Chernatynskiy, Aleksandr;Phillpot, Simon R.;
19:94:4     Critical assessment of UO2 classical potentials for thermal conductivity calculations
DOI:10.1007/s10853-011-6230-0  JN:JOURNAL OF MATERIALS SCIENCE  PY:2012
  TC:22  AU: Chernatynskiy, Aleksandr;Flint, Charles;Sinnott, Susan B.;Phillpot, Simon R.;
19:94:5     Thermal conductivity of compressed H2O to 22 GPa: A test of the Leibfried-Schlomann equation
DOI:10.1103/PhysRevB.83.132301  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: Chen, Bin;Hsieh, Wen-Pin;Cahill, David G.;Trinkle, Dallas R.;Li, Jie;
19:94:6     Phonon Quasiparticles and Anharmonic Free Energy in Complex Systems
DOI:10.1103/PhysRevLett.112.058501  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:2  AU: Zhang, Dong-Bo;Sun, Tao;Wentzcovitch, Renata M.;
19:94:7     Phonon quasiparticles and anharmonic perturbation theory tested by molecular dynamics on a model system
DOI:10.1103/PhysRevB.82.224304  JN:PHYSICAL REVIEW B  PY:2010
  TC:2  AU: Sun, Tao;Shen, Xiao;Allen, Philip B.;
19:94:8     Dynamic stabilization of cubic CaSiO3 perovskite at high temperatures and pressures from ab initio molecular dynamics
DOI:10.1103/PhysRevB.89.094109  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Sun, Tao;Zhang, Dong-Bo;Wentzcovitch, Renata M.;
19:94:9     Extremes of heat conduction-Pushing the boundaries of the thermal conductivity of materials
DOI:10.1557/mrs.2012.201  JN:MRS BULLETIN  PY:2012
  TC:14  AU: Cahill, David G.;
19:94:10     Ta and Au(Pd) alloy metal film transducers for time-domain thermoreflectance at high pressures
DOI:10.1063/1.3592882  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:3  AU: Hsieh, Wen-Pin;Cahill, David G.;
19:94:11     Thermal conductivity of argon at high pressures and high temperatures
DOI:10.1063/1.4726207  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:5  AU: Goncharov, Alexander F.;Wong, Michael;Dalton, D. Allen;Ojwang, J. G. O.;Struzhkin, Viktor V.;Konopkova, Zuzana;Lazor, Peter;
19:94:12     Temperature distributions in the laser-heated diamond anvil cell from 3-D numerical modeling
DOI:10.1063/1.4830274  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Rainey, E. S. G.;Hernlund, J. W.;Kavner, A.;
19:95:1     Photoluminescence of deep defects involving transition metals in Si: New insights from highly enriched Si-28
DOI:10.1063/1.3651774  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:12  AU: Steger, M.;Yang, A.;Sekiguchi, T.;Saeedi, K.;Thewalt, M. L. W.;Henry, M. O.;Johnston, K.;Riemann, H.;Abrosimov, N. V.;Churbanov, M. F.;Gusev, A. V.;Kaliteevskii, A. K.;Godisov, O. N.;Becker, P.;Pohl, H-J.;
19:95:2     Four-copper complexes in Si and the Cu-photoluminescence defect: A first-principles study
DOI:10.1103/PhysRevB.84.155322  JN:PHYSICAL REVIEW B  PY:2011
  TC:8  AU: Carvalho, A.;Backlund, D. J.;Estreicher, S. K.;
19:95:3     Phonons and defects in semiconductors and nanostructures: Phonon trapping, phonon scattering, and heat flow at heterojunctions
DOI:10.1063/1.4838059  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Estreicher, S. K.;Gibbons, T. M.;Kang, By;Bebek, M. B.;
19:95:4     Thermal conductivity of Si nanowires: A first-principles analysis of the role of defects
DOI:10.1103/PhysRevB.89.155409  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Kang, By.;Estreicher, S. K.;
19:95:5     Energy level(s) of the dissociation product of the 1.014 eV photoluminescence copper center in n-type silicon determined by photoluminescence and deep-level transient spectroscopy
DOI:10.1063/1.4813878  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Nakamura, Minoru;Murakami, Susumu;Udono, Haruhiko;
19:95:6     Deep levels of copper-hydrogen complexes in silicon
DOI:10.1103/PhysRevB.88.085205  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Yarykin, Nikolai;Weber, Joerg;
19:95:7     Depth progression of dissociation reaction of the 1.014-eV photoluminescence copper center in copper-diffused silicon crystal measured by deep-level transient spectroscopy
DOI:10.1063/1.3575574  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:4  AU: Nakamura, Minoru;Murakami, Susumu;
19:95:8     Transformation reactions of copper centers in the space-charge region of a copper-diffused silicon crystal measured by deep-level transient spectroscopy
DOI:10.1063/1.4754862  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Nakamura, Minoru;Murakami, Susumu;Udono, Haruhiko;
19:95:9     Deep-level transient spectroscopy and photoluminescence measurements of dissociation energy of the 1.014-eV copper center in copper-diffused silicon crystal
DOI:10.1063/1.3699366  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Nakamura, Minoru;Murakami, Susumu;
19:95:10     Copper-related deep-level centers in irradiated p-type silicon
DOI:10.1103/PhysRevB.83.125207  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: Yarykin, Nikolai;Weber, Joerg;
19:95:11     Copper centers in copper-diffused n-type silicon measured by photoluminescence and deep-level transient spectroscopy
DOI:10.1063/1.4739470  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:2  AU: Nakamura, Minoru;Murakami, Susumu;Udono, Haruhiko;
19:95:12     Hydrogenation of the Cu-PL center in silicon
DOI:10.1063/1.4890089  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Yarykin, Nikolai;Weber, Joerg;
19:95:13     Isotopic fingerprints of Pt-containing luminescence centers in highly enriched Si-28
DOI:10.1103/PhysRevB.81.235217  JN:PHYSICAL REVIEW B  PY:2010
  TC:4  AU: Steger, M.;Yang, A.;Sekiguchi, T.;Saeedi, K.;Thewalt, M. L. W.;Henry, M. O.;Johnston, K.;Alves, E.;Wahl, U.;Riemann, H.;Abrosimov, N. V.;Churbanov, M. F.;Gusev, A. V.;Kaliteevskii, A. K.;Godisov, O. N.;Becker, P.;Pohl, H. -J.;
19:95:14     Aggregation of interstitial copper atoms in silicon
DOI:10.1016/j.mssp.2010.02.003  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2010
  TC:2  AU: Lowther, J. E.;
19:96:1     A study of the synthesis of bismuth tellurium selenide nanocompounds and procedures for improving their thermoelectric performance
DOI:10.1016/j.jallcom.2011.07.040  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:7  AU: Kim, Cham;Kim, Dong Hwan;Kim, Jong Sook;Han, Yoon Soo;Chung, Jong Shik;Kim, Hoyoung;
19:96:2     Significant Enhancement in the Thermoelectric Performance of a Bismuth Telluride Nanocompound through Brief Fabrication Procedures
DOI:10.1021/am3002764  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2012
  TC:9  AU: Kim, Cham;Kim, Dong Hwan;Kim, Hoyoung;Chung, Jong Shik;
19:96:3     Development of bismuth tellurium selenide nanoparticles for thermoelectric applications via a chemical synthetic process
DOI:10.1016/j.materresbull.2010.12.004  JN:MATERIALS RESEARCH BULLETIN  PY:2011
  TC:13  AU: Kim, Cham;Kim, Dong Hwan;Han, Yoon Soo;Chung, Jong Shik;Park, SangHa;Park, Soonheum;Kim, Hoyoung;
19:96:4     Investigation of Reaction Mechanisms of Bismuth Tellurium Selenide Nanomaterials for Simple Reaction Manipulation Causing Effective Adjustment of Thermoelectric Properties
DOI:10.1021/am405035z  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:0  AU: Kim, Cham;Kim, Dong Hwan;Kim, Jong Tae;Han, Yoon Soo;Kim, Hoyoung;
19:96:5     Tellurium-evaporation-annealing for p-type bismuth-antimony-telluride thermoelectric materials
DOI:10.1016/j.jallcom.2012.08.130  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:7  AU: Kim, Dong Hwan;Kwon, In Hye;Kim, Cham;Han, Byungchan;Im, Hee-Joong;Kim, Hoyoung;
19:96:6     Study of reaction mechanisms and synthetic manipulations of bismuth tellurium selenide nanomaterials for enhanced thermoelectric performance
DOI:10.1016/j.jallcom.2013.09.001  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Kim, Cham;Kim, Dong Hwan;Lee, Yu Kyung;Kim, Jong Tae;Han, Yoon Soo;Kim, Hoyoung;
19:96:7     Control of Thermoelectric Properties through the addition of Ag in the Bi(0.5)Sb(1.5)Te(3)Alloy
DOI:10.3365/eml.2010.12.201  JN:ELECTRONIC MATERIALS LETTERS  PY:2010
  TC:8  AU: Lee, J. K.;Park, S. D.;Kim, B. S.;Oh, M. W.;Cho, S. H.;Min, B. K.;Lee, H. W.;Kim, M. H.;
19:96:8     Fabrication of bismuth telluride nanoparticles using a chemical synthetic process and their thermoelectric evaluations
DOI:10.1016/j.powtec.2011.08.049  JN:POWDER TECHNOLOGY  PY:2011
  TC:10  AU: Kim, Cham;Kim, Dong Hwan;Han, Yoon Soo;Chung, Jong Shik;Park, SangHa;Kim, Hoyoung;
19:96:9     Low temperature synthesis of Bi2Te3 nanosheets and thermal conductivity of nanosheet-contained composites
DOI:10.1016/j.matchemphys.2010.01.010  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2010
  TC:6  AU: Sun, Zhengliang;Liufu, Shengcong;Yao, Qin;Chen, Lidong;
19:97:1     Flexible Nanocrystal-Coated Glass Fibers for High-Performance Thermoelectric Energy Harvesting
DOI:10.1021/nl300524j  JN:NANO LETTERS  PY:2012
  TC:13  AU: Liang, Daxin;Yang, Haoran;Finefrock, Scott W.;Wu, Yue;
19:97:2     Scalable solution assembly of nanosheets into high-performance flexible Bi0.5Sb1.5Te3 thin films for thermoelectric energy conversion
DOI:10.1007/s11051-014-2575-z  JN:JOURNAL OF NANOPARTICLE RESEARCH  PY:2014
  TC:0  AU: Liang, Li-Xing;Deng, Yuan;Wang, Yao;Gao, Hong-Li;Cui, Jiaolin;
19:97:3     Impact of Surface-Bound Small Molecules on the Thermoelectric Property of Self-Assembled Ag2Te Nanocrystal Thin Films
DOI:10.1021/acs.nanolett.5b00255  JN:NANO LETTERS  PY:2015
  TC:0  AU: Sun, Yanming;Fang, Haiyu;Pan, Lujun;Han, Meng;Xu, Shen;Wane, Xinwei;Xu, Biao;Wu, Yue;
19:97:4     Self-assembly of reconfigurable colloidal molecules
DOI:10.1039/c4sm00026a  JN:SOFT MATTER  PY:2014
  TC:4  AU: Ortiz, Daniel;Kohlstedt, Kevin L.;Trung Dac Nguyen;Glotzer, Sharon C.;
19:97:5     Nanostructured thermoelectric: Opportunities and challenges
DOI:10.1016/j.nanoen.2012.08.001  JN:NANO ENERGY  PY:2012
  TC:3  AU: Wu, Yue;Finefrock, Scott W.;Yang, Haoran;
19:97:6     The Effects of the Size and the Doping Concentration on the Power Factor of n-type Lead Telluride Nanocrystals for Thermoelectric Energy Conversion
DOI:10.1021/nl403677k  JN:NANO LETTERS  PY:2014
  TC:6  AU: Fang, Haiyu;Luo, Zhiqiang;Yang, Haoran;Wu, Yue;
19:97:7     Cross-plane thermal transport in micrometer-thick spider silk films
DOI:10.1016/j.polymer.2014.02.020  JN:POLYMER  PY:2014
  TC:1  AU: Xu, Shen;Xu, Zaoli;Starrett, James;Hayashi, Cheryl;Wang, Xinwei;
19:97:8     Thermophysical properties of hydrogenated vanadium-doped magnesium porous nanostructures
DOI:10.1088/0957-4484/21/5/055707  JN:NANOTECHNOLOGY  PY:2010
  TC:5  AU: Chen, Xiangwen;He, Yuping;Zhao, Yiping;Wang, Xinwei;
19:97:9     Across-plane thermal characterization of films based on amplitude-frequency profile in photothermal technique
DOI:10.1063/1.4898330  JN:AIP ADVANCES  PY:2014
  TC:0  AU: Xu, Shen;Wang, Xinwei;
19:98:1     Enhanced figure of merit of a porous thin film of bismuth antimony telluride
DOI:10.1063/1.3543852  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:22  AU: Kashiwagi, Makoto;Hirata, Shuzo;Harada, Kentaro;Zheng, Yanqiong;Miyazaki, Koji;Yahiro, Masayuki;Adachi, Chihaya;
19:98:2     Combined effect of nanoscale grain size and porosity on lattice thermal conductivity of bismuth-telluride-based bulk alloys
DOI:10.1063/1.4759326  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:16  AU: Takashiri, Masayuki;Tanaka, Saburo;Hagino, Harutoshi;Miyazaki, Koji;
19:98:3     Thermoelectric characterization of ion beam sputtered Sb2Te3 thin films
DOI:10.1016/j.jallcom.2010.06.046  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:19  AU: Fan, Ping;Zheng, Zhuang-Hao;Liang, Guang-Xing;Zhang, Dong-Ping;Cai, Xing-Min;
19:98:4     Thermal conductivity of semiconductor (bismuth-telluride)-semimetal (antimony) superlattice nanostructures
DOI:10.1016/j.actamat.2009.09.035  JN:ACTA MATERIALIA  PY:2010
  TC:9  AU: Pinisetty, D.;Devireddy, R. V.;
19:98:5     Thermoelectric properties of P-type Sb2Te3 thick film processed by a screen-printing technique and a subsequent annealing process
DOI:10.1016/j.jallcom.2013.07.195  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:7  AU: Kim, Sun Jin;We, Ju Hyung;Kim, Jin Sang;Kim, Gyung Soo;Cho, Byung Jin;
19:98:6     Preparation and Thermoelectric Properties of Nanoporous Bi2Te3-Based Alloys
DOI:10.1007/s11664-010-1199-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:8  AU: Zhang, Y. H.;Xu, G. Y.;Han, F.;Wang, Z.;Ge, C. C.;
19:98:7     Characterization of electrodeposited bismuth-tellurium nanowires and nanotubes
DOI:10.1016/j.actamat.2010.12.047  JN:ACTA MATERIALIA  PY:2011
  TC:11  AU: Pinisetty, D.;Davis, D.;Podlaha-Murphy, E. J.;Murphy, M. C.;Karki, A. B.;Young, D. P.;Devireddy, R. V.;
19:98:8     Fabrication of a Flexible Bismuth Telluride Power Generation Module Using Microporous Polyimide Films as Substrates
DOI:10.1007/s11664-013-2852-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Kato, Kunihisa;Hatasako, Yoshika;Kashiwagi, Makoto;Hagino, Harutoshi;Adachi, Chihaya;Miyazaki, Koji;
19:98:9     Thermoelectric properties of screen-printed ZnSb film
DOI:10.1016/j.tsf.2011.03.031  JN:THIN SOLID FILMS  PY:2011
  TC:8  AU: Lee, Heon Bok;We, Ju Hyung;Yang, Hyun Jeong;Kim, Kukjoo;Choi, Kyung Cheol;Cho, Byung Jin;
19:98:10     Thermoelectric properties of bismuth antimony tellurium thin films through bilayer annealing prepared by ion beam sputtering deposition
DOI:10.1016/j.tsf.2014.04.043  JN:THIN SOLID FILMS  PY:2014
  TC:1  AU: Zheng, Zhuang-hao;Fan, Ping;Luo, Jing-ting;Cai, Xing-min;Liang, Guang-xing;Zhang, Dong-ping;Ye, Fan;
19:99:1     Resistivity, thermopower, and thermal conductivity of nickel doped compounds Cr1-xNixSb2 at low temperatures
DOI:10.1016/j.jallcom.2010.12.159  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:2  AU: Li, Hai Jin;Qin, Xiao Ying;Liu, Yi;Li, Di;Hu, Jin Lian;
19:99:2     The effect of Ti substitution for Cr on transport and thermoelectric properties of CrSb2 at low temperatures
DOI:10.1016/j.jallcom.2010.07.116  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:2  AU: Li, Haijin;Qin, Xiaoying;Liu, Yi;Li, Di;
19:99:3     Synthesis and thermoelectric properties of Zn4Sb3/Bi0.5Sb1.5Te3 bulk nanocomposites
DOI:10.1016/j.jallcom.2010.04.006  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:9  AU: Sun, J. H.;Qin, X. Y.;Xin, H. X.;Li, D.;Pan, L.;Song, C. J.;Zhang, J.;Sun, R. R.;Wang, Q. Q.;Liu, Y. F.;
19:99:4     Thermoelectric properties of Bi-Sb-Te materials prepared by electric current stressing
DOI:10.1016/j.jallcom.2009.10.047  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:12  AU: Liao, Chien-Neng;Wu, Li-Chieh;Lee, Jinn-Shing;
19:99:5     Transport properties of Ag0.8Pb18SbTe20 Prepared by high pressure temperature
DOI:10.1016/j.jallcom.2010.03.095  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:5  AU: Su, Taichao;Li, Shangsheng;Ma, Hongan;Li, Xiaolei;Deng, Le;Yan, Yan;Guo, Wei;Jia, Xiaopeng;
19:99:6     High-temperature thermoelectric properties of Ti-x(ZrHf)(0.99-x)V0.01Ni0.9Pd0.1Sn0.99Sb0.01 half-Heusler alloys
DOI:10.1016/j.jallcom.2010.02.131  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:5  AU: Lee, Ping-Jen;Tseng, Shih Chun;Chao, Long-Sun;
19:99:7     Synthesis and thermoelectric properties of single crystalline and polycrystalline Ba8Ga16Ge30
DOI:10.1016/j.jallcom.2009.11.045  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:4  AU: Wang, H. F.;Cai, K. F.;Li, H.;Yu, D. H.;Wang, X.;Zhou, C. W.;Li, X. L.;Wang, Y. Y.;An, B. J.;Du, Y.;
19:100:1     Comparison and Evaluation of Spectral Energy Methods for Predicting Phonon Properties
DOI:10.1166/jctn.2014.3345  JN:JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE  PY:2014
  TC:9  AU: Larkin, J. M.;Turney, J. E.;Massicotte, A. D.;Amon, C. H.;McGaughey, A. J. H.;
19:100:2     Effect of film thickness on the thermal resistance of confined semiconductor thin films
DOI:10.1063/1.3275506  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:26  AU: Landry, E. S.;McGaughey, A. J. H.;
19:100:3     Thermal Conductivity Calculation with the Molecular Dynamics Direct Method I: More Robust Simulations of Solid Materials
DOI:10.1166/jctn.2011.1935  JN:JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE  PY:2011
  TC:5  AU: Howell, P. C.;
19:100:4     Thermal Conductivity of Periclase (MgO) from First Principles
DOI:10.1103/PhysRevLett.104.208501  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:32  AU: Stackhouse, Stephen;Stixrude, Lars;Karki, Bijaya B.;
19:100:5     Thermal Conductivity Calculation with the Molecular Dynamics Direct Method II: Improving the Computational Efficiency
DOI:10.1166/jctn.2011.1936  JN:JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE  PY:2011
  TC:5  AU: Howell, P. C.;
19:100:6     Predicting phonon dispersion relations and lifetimes from the spectral energy density (vol 81, 081411, 2010)
DOI:10.1103/PhysRevB.90.039901  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Thomas, John A.;Turney, Joseph E.;Iutzi, Ryan M.;Amon, Cristina H.;McGaughey, Alan J. H.;
19:100:7     Nano-scale surface morphology optimization of the ohmic contacts and electrical properties of AlGaN/GaN high electron mobility transistors using a rapid thermal annealing dielectric protection layer
DOI:10.1016/j.tsf.2013.11.134  JN:THIN SOLID FILMS  PY:2014
  TC:1  AU: Cho, Sung-Jin;Wang, Cong;Kim, Nam-Young;
19:100:8     Thermal Conductivity of Periclase (MgO) from First Principles (vol 104, 208501, 2010)
DOI:10.1103/PhysRevLett.110.089905  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:0  AU: Stackhouse, Stephen;Stixrude, Lars;Karki, Bijaya B.;
19:100:9     Effects of double passivation for optimize DC properties in gamma-gate AlGaN/GaN high electron mobility transistor by plasma enhanced chemical vapor deposition
DOI:10.1016/j.tsf.2012.02.055  JN:THIN SOLID FILMS  PY:2012
  TC:5  AU: Cho, Sung-Jin;Wang, Cong;Kim, Nam-Young;
19:101:1     Design of a Concentration Solar Thermoelectric Generator
DOI:10.1007/s11664-010-1279-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:40  AU: Li, Peng;Cai, Lanlan;Zhai, Pengcheng;Tang, Xinfeng;Zhang, Qingjie;Niino, M.;
19:101:2     Finite Element Thermomechanical Modeling of Large Area Thermoelectric Generators based on Bismuth Telluride Alloys
DOI:10.1007/s11664-009-1049-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:19  AU: Turenne, S.;Clin, Th;Vasilevskiy, D.;Masut, R. A.;
19:101:3     Skutterudites: Thermoelectric Materials for Automotive Applications?
DOI:10.1007/s11664-009-1005-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:16  AU: Salzgeber, K.;Prenninger, P.;Grytsiv, A.;Rogl, P.;Bauer, E.;
19:101:4     Modal Analysis and Study of the Vibration Characteristics of the Thermoelectric Modules of Vehicle Exhaust Power-Generation Systems
DOI:10.1007/s11664-013-2919-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Chen, Gang;Mu, Yu;Zhai, Pengcheng;Yu, Rui;Li, Guodong;Zhang, Qingjie;
19:101:5     An Investigation on the Coupled Thermal-Mechanical-Electrical Response of Automobile Thermoelectric Materials and Devices
DOI:10.1007/s11664-012-2422-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Chen, Gang;Mu, Yu;Zhai, Pengcheng;Li, Guodong;Zhang, Qingjie;
19:101:6     Influence of nanosized inclusions on the room temperature thermoelectrical properties of a p-type bismuth-tellurium-antimony alloy
DOI:10.1016/j.actamat.2012.05.007  JN:ACTA MATERIALIA  PY:2012
  TC:0  AU: Bernard-Granger, Guillaume;Addad, Ahmed;Navone, Christelle;Soulier, Mathieu;Simon, Julia;Szkutnik, Pierre-David;
19:101:7     Low-temperature structure and lattice dynamics of the thermoelectric clathrate Sn24P19.3I8
DOI:10.1016/j.jallcom.2011.12.171  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:5  AU: Novikov, Vladimir V.;Matovnikov, Alexander V.;Avdashchenko, Dmitrii V.;Mitroshenkov, Nikolai V.;Dikarev, Evgeny;Takamizawa, Satoshi;Kirsanova, Maria A.;Shevelkov, Andrei V.;
19:101:8     First-Order Phase Transition in a New CaCu5-Related Antimonide, CePt5Sb
DOI:10.1021/cm201584f  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:0  AU: Salamakha, L.;Bauer, E.;Michor, H.;Hilscher, G.;Mueller, H.;Svagera, R.;Sologub, O.;Rogl, P.;Hester, J.;Roisnel, T.;Giester, G.;Mudryi, S.;
19:101:9     Thermal Stress Analysis and Structure Parameter Selection for a Bi2Te3-Based Thermoelectric Module
DOI:10.1007/s11664-011-1611-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:16  AU: Gao, Jun-Ling;Du, Qun-Gui;Zhang, Xiao-Dan;Jiang, Xin-Qiang;
19:101:10     Simulation and Optimization for System Integration of a Solar Thermoelectric Device
DOI:10.1007/s11664-010-1471-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:6  AU: Yang, Tianqi;Xiao, Jinsheng;Li, Peng;Zhai, Pengcheng;Zhang, Qingjie;
19:101:11     Effect of Surface Preparation on Mechanical Properties of Ni Contacts on Polycrystalline (Bi(1-x)Sbx)(2)(Te1-y Se-y)(3) Alloys
DOI:10.1007/s11664-011-1895-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Kashi, S.;Keshavarz, M. K.;Vasilevskiy, D.;Masut, R. A.;Turenne, S.;
19:102:1     Enhanced Thermopower of Graphene Films with Oxygen Plasma Treatment
DOI:10.1021/nn2001849  JN:ACS NANO  PY:2011
  TC:67  AU: Xiao, Ni;Dong, Xiaochen;Song, Li;Liu, Dayong;Tay, YeeYan;Wu, Shixin;Li, Lain-Jong;Zhao, Yang;Yu, Ting;Zhang, Hua;Huang, Wei;Hng, Huey Hoon;Ajayan, Pulickel M.;Yan, Qingyu;
19:102:2     Electric heating films based on m-aramid nanocomposites containing hybrid fillers of graphene and carbon nanotube
DOI:10.1007/s10853-013-7216-x  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:6  AU: Jeon, Gil Woo;Jeong, Young Gyu;
19:102:3     Terahertz and optical study of monolayer graphene processed by plasma oxidation
DOI:10.1063/1.4795526  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:4  AU: Choi, Kyujin;Lim, Juhwan;Rani, J. R.;Yoon, Hyong Seo;Oh, Juyeong;Hong, Taeyoon;Ha, Taewoo;Park, Byung Cheol;Sim, Kyung Ik;Jun, Seong Chan;Kim, Jae Hoon;
19:103:1     Determination of interfacial thermal resistance at the nanoscale
DOI:10.1103/PhysRevB.83.195423  JN:PHYSICAL REVIEW B  PY:2011
  TC:28  AU: Hu, Lin;Desai, Tapan;Keblinski, Pawel;
19:103:2     Thermal contact resistance across nanoscale silicon dioxide and silicon interface
DOI:10.1063/1.4754513  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:13  AU: Chen, Jie;Zhang, Gang;Li, Baowen;
19:103:3     Bonding-induced thermal conductance enhancement at inorganic heterointerfaces using nanomolecular monolayers
DOI:10.1038/NMAT3465  JN:NATURE MATERIALS  PY:2013
  TC:30  AU: O'Brien, Peter J.;Shenogin, Sergei;Liu, Jianxiun;Chow, Philippe K.;Laurencin, Danielle;Mutin, P. Hubert;Yamaguchi, Masashi;Keblinski, Pawel;Ramanath, Ganpati;
19:103:4     Kapitza resistance of Si/SiO2 interface
DOI:10.1063/1.4867047  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:5  AU: Deng, B.;Chernatynskiy, A.;Khafizov, M.;Hurley, D. H.;Phillpot, S. R.;
19:103:5     Thermal boundary resistance at silicon-silica interfaces by molecular dynamics simulations
DOI:10.1063/1.3698325  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:7  AU: Lampin, E.;Nguyen, Q. -H.;Francioso, P. A.;Cleri, F.;
19:103:6     Thermal conductivity from approach-to-equilibrium molecular dynamics
DOI:10.1063/1.4815945  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:8  AU: Lampin, E.;Palla, P. L.;Francioso, P. -A.;Cleri, F.;
19:104:1     Ga2Te3 phase change material for low-power phase change memory application
DOI:10.1063/1.3483762  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:15  AU: Zhu, Hao;Yin, Jiang;Xia, Yidong;Liu, Zhiguo;
19:104:2     The role of stoichiometric vacancy periodicity in pressure-induced amorphization of the Ga2SeTe2 semiconductor alloy
DOI:10.1063/1.4892549  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Abdul-Jabbar, N. M.;Kalkan, B.;Huang, G. -Y.;MacDowell, A. A.;Gronsky, R.;Bourret-Courchesne, E. D.;Wirth, B. D.;
19:104:3     Theoretical study of Ga2Se3, Ga2Te3 and Ga-2(Se1-xTex)(3): Band-gap engineering
DOI:10.1016/j.actamat.2014.03.010  JN:ACTA MATERIALIA  PY:2014
  TC:1  AU: Huang, Gui-Yang;Abdul-Jabbar, N. M.;Wirth, B. D.;
19:104:4     Effect of Vacancy Distribution on the Thermal Conductivity of Ga2Te3 and Ga2Se3
DOI:10.1007/s11664-010-1479-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:17  AU: Kim, Chang-Eun;Kurosaki, Ken;Ishimaru, Manabu;Muta, Hiroaki;Yamanaka, Shinsuke;
19:104:5     The effect of structural vacancies on the twins in defect zinc-blende crystal Hg3In2Te6 grown by Bridgman method
DOI:10.1016/j.jcrysgro.2014.09.014  JN:JOURNAL OF CRYSTAL GROWTH  PY:2014
  TC:0  AU: Luo, Lin;Jie, Wanqi;Xu, Yadong;Wang, Tao;Du, Yuanyuan;Fu, Li;
19:104:6     Probing the local environment of two-dimensional ordered vacancy structures in Ga2SeTe2 via aberration-corrected electron microscopy
DOI:10.1063/1.4863974  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:2  AU: Abdul-Jabbar, N. M.;Ercius, P.;Gronsky, R.;Bourret-Courchesne, E. D.;Wirth, B. D.;
19:104:7     Single crystal growth of Ga-2(SexTe1-x)(3) semiconductors and defect studies via positron annihilation spectroscopy
DOI:10.1016/j.jcrysgro.2012.02.011  JN:JOURNAL OF CRYSTAL GROWTH  PY:2012
  TC:6  AU: Abdul-Jabbar, N. M.;Bourret-Courchesne, E. D.;Wirth, B. D.;
19:104:8     Synthesis of Germanium-Gallium-Tellurium (Ge-Ga-Te) Ceramics by Ball-Milling and Sintering
DOI:10.1111/jace.12299  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2013
  TC:2  AU: Hubert, Mathieu;Petracovschi, Elena;Zhang, Xiang-Hua;Calvez, Laurent;
19:104:9     Effect of the Amount of Vacancies on the Thermoelectric Properties of Cu-Ga-Te Ternary Compounds
DOI:10.2320/matertrans.E-M2012810  JN:MATERIALS TRANSACTIONS  PY:2012
  TC:4  AU: Plirdpring, Theerayuth;Kurosaki, Ken;Kosuga, Atsuko;Ishimaru, Manabu;Harnwunggmoung, Adul;Sugahara, Tohru;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:104:10     Ga2Te3 phase change material for low-power phase change memory application (vol 97, 083504, 2014)
DOI:10.1063/1.4869567  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Zhu, Hao;Yin, Jiang;Xia, Yidong;Liu, Zhiguo;
19:105:1     Thermoelectric properties of p-type semiconductors copper chromium disulfide CuCrS2+x
DOI:10.1007/s10853-013-7220-1  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:3  AU: Han, Cheng-Gong;Zhang, Bo-Ping;Ge, Zhen-Hua;Zhang, Li-Juan;Liu, Yao-Chun;
19:105:2     Enhancing Thermoelectric Properties of Polycrystalline Bi2S3 by Optimizing a Ball-Milling Process
DOI:10.1007/s11664-011-1548-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:21  AU: Ge, Zhen-Hua;Zhang, Bo-Ping;Shang, Peng-Peng;Yu, Yi-Qiang;Chen, Chen;Li, Jing-Feng;
19:105:3     Effect of spark plasma sintering temperature on thermoelectric properties of Bi2S3 polycrystal
DOI:10.1557/jmr.2011.273  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:13  AU: Ge, Zhen-Hua;Zhang, Bo-Ping;Yu, Zhao-Xin;Li, Jing-Feng;
19:105:4     Thermoelectric Properties of Layer-Antiferromagnet CuCrS2
DOI:10.1007/s11664-010-1185-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:18  AU: Tewari, Girish C.;Tripathi, T. S.;Rastogi, A. K.;
19:105:5     Thermoelectric properties of layered antiferromagnetic CuCrSe2
DOI:10.1016/j.matchemphys.2014.01.053  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2014
  TC:1  AU: Tewari, Girish C.;Tripathi, T. S.;Yamauchi, Hisao;Karppinen, Maarit;
19:105:6     Increase in the Thermoelectric Efficiency of the Disordered Phase of Layered Antiferromagnetic CuCrS2
DOI:10.1007/s11664-011-1789-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:8  AU: Tewari, Girish C.;Tripathi, T. S.;Kumar, P.;Rastogi, A. K.;Pasha, S. K.;Gupta, Govind;
19:105:7     Ordered-Defect Sulfides as Thermoelectric Materials
DOI:10.1007/s11664-013-2941-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Kaltzoglou, Andreas;Vaqueiro, Paz;Barbier, Tristan;Guilmeau, Emmanuel;Powell, Anthony V.;
19:105:8     Fabrication and properties of Bi(2-x)Ag3(x)S(3) thermoelectric polycrystals
DOI:10.1016/j.jallcom.2011.11.072  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:3  AU: Ge, Zhen-Hua;Zhang, Bo-Ping;Yu, Yi-Qiang;Shang, Peng-Peng;
19:105:9     Thermoelectric Properties of (Na1-yMy)(1.4)Co2O4 (M = Sr, Li)
DOI:10.1007/s11664-011-1553-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:1  AU: Li, Ying;Ma, Beiyue;Jiang, Maofa;Wang, Zhenming;
19:105:10     Thermoelectric Properties of (Bi1-x Sb (x) )(2)S-3 with Orthorhombic Structure
DOI:10.1007/s11664-013-2742-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Kawamoto, Yusuke;Iwasaki, Hideo;
19:106:1     Anisotropic thermoelectric properties associated with dimensional crossover in quasi-one-dimensional SrNbO3.4+d (d similar to 0.03)
DOI:10.1103/PhysRevB.84.085118  JN:PHYSICAL REVIEW B  PY:2011
  TC:2  AU: Kobayashi, W.;Hayashi, Y.;Matsushita, M.;Yamamoto, Y.;Terasaki, I.;Nakao, A.;Nakao, H.;Murakami, Y.;Moritomo, Y.;Yamauchi, H.;Karppinen, M.;
19:106:2     Large anisotropic thermoelectricity in perovskite related layered structure: SrnNbnO3n+2 (n=4,5)
DOI:10.1063/1.3510585  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:8  AU: Sakai, Akihiro;Kanno, Tsutomu;Takahashi, Kouhei;Yamada, Yuka;Adachi, Hideaki;
19:106:3     High-temperature thermoelectric properties of the double-perovskite ruthenium oxide (Sr1-xLax)(2)ErRuO6
DOI:10.1063/1.4757632  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:5  AU: Takahashi, Ryohei;Okazaki, Ryuji;Yasui, Yukio;Terasaki, Ichiro;Sudayama, Takaaki;Nakao, Hironori;Yamasaki, Yuichi;Okamoto, Jun;Murakami, Youichi;Kitajima, Yoshinori;
19:106:4     A new carbon intercalated compound of Dion-Jacobson phase HLaNb2O7
DOI:10.1039/c2jm14902h  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:6  AU: Wang, Caihua;Tang, Kaibin;Wang, Dake;Liu, Zhongping;Wang, Linlin;Zhu, Yongchun;Qian, Yitai;
19:106:5     Procedure for measuring electrical resistivity of anisotropic materials: A revision of the Montgomery method
DOI:10.1063/1.3652905  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:6  AU: dos Santos, C. A. M.;de Campos, A.;da Luz, M. S.;White, B. D.;Neumeier, J. J.;de Lima, B. S.;Shigue, C. Y.;
19:106:6     Thermoelectric Responses in Layered Strontium-Niobates Via Two Ways of Charge Carrier Control Techniques
DOI:10.1111/j.1551-2916.2012.05169.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2012
  TC:4  AU: Sakai, Akihiro;Kanno, Tsutomu;Takahashi, Kouhei;Omote, Atsushi;Adachi, Hideaki;Yamada, Yuka;
19:106:7     Photo-transport properties of Pb2CrO5 single crystals
DOI:10.1063/1.4902248  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Mondal, P. S.;Okazaki, R.;Taniguchi, H.;Terasaki, I.;
19:106:8     Physical properties of quasi-one-dimensional SrNbO3.41 and Luttinger liquid analysis of electrical transport
DOI:10.1103/PhysRevB.82.125117  JN:PHYSICAL REVIEW B  PY:2010
  TC:2  AU: de Campos, A.;da Luz, M. S.;dos Santos, C. A. M.;Rice, A. T.;Deml, A. M.;White, B. D.;Neumeier, J. J.;Cohn, J. L.;
19:106:9     Atomic and electronic structure of the SrNbO3/SrNbO3.4 interface
DOI:10.1063/1.4902970  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Chen, Chunlin;Lv, Shuhui;Wang, Zhongchang;Akagi, Kazuto;Lichtenberg, Frank;Ikuhara, Yuichi;Bednorz, Johannes Georg;
19:106:10     Dominant role of impurity scattering over crystalline anisotropy for magnetotransport properties in the quasi-one-dimensional hollandite Ba1.2Rh8O16
DOI:10.1103/PhysRevB.82.115113  JN:PHYSICAL REVIEW B  PY:2010
  TC:5  AU: Pautrat, Alain;Kobayashi, Wataru;
19:106:11     Photo-Seebeck effect in tetragonal PbO single crystals
DOI:10.1063/1.4829460  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:4  AU: Mondal, P. S.;Okazaki, R.;Taniguchi, H.;Terasaki, I.;
19:106:12     A topotactic synthetic methodology to mesoporous compound HLaNb2O7
DOI:10.1016/j.matlet.2013.07.019  JN:MATERIALS LETTERS  PY:2013
  TC:0  AU: Wang, Caihua;Tang, Kaibin;Wang, Linlin;Hao, Qiaoyan;Wang, Yan;
19:106:13     Hydrostatic pressure (8 GPa) dependence of electrical resistivity of BaCo2As2 single crystal
DOI:10.1016/j.materresbull.2013.07.003  JN:MATERIALS RESEARCH BULLETIN  PY:2013
  TC:0  AU: Ganguli, Chandreyee;Matsubayashi, Kazuyuki;Ohgushi, Kenya;Uwatoko, Yoshiya;Kanagaraj, Moorthi;Arumugam, Sonachalam;
19:106:14     Spontaneous Structural Distortion and Quasi-One-Dimensional Quantum Confinement in a Single-Phase Compound
DOI:10.1002/adma.201203134  JN:ADVANCED MATERIALS  PY:2013
  TC:5  AU: Wang, Zhongchang;Gu, Lin;Saito, Mitsuhiro;Tsukimoto, Susumu;Tsukada, Masaru;Lichtenberg, Frank;Ikuhara, Yuichi;Bednorz, Johannes Georg;
19:106:15     Structural, electrical, and magnetic properties of Pb2-xLaxCrO5 (0 <= x <= 0.15)
DOI:10.1016/j.jmmm.2012.11.007  JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS  PY:2013
  TC:2  AU: Indovski, Biljana;Singh, M. P.;Razavi, F. S.;
19:107:1     Electronic structure and thermoelectric properties: PbBi2Te4 and related intergrowth compounds
DOI:10.1103/PhysRevB.81.245119  JN:PHYSICAL REVIEW B  PY:2010
  TC:10  AU: Zhang, Lijun;Singh, David J.;
19:107:2     Enhanced thermoelectric performance of (Sb0.75Bi0.25)(2)Te-3 compound from first-principles calculations
DOI:10.1063/1.3372636  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:15  AU: Lv, H. Y.;Liu, H. J.;Pan, L.;Wen, Y. W.;Tan, X. J.;Shi, J.;Tang, X. F.;
19:107:3     Doping-dependent thermoelectric properties of BiSb3Te6 from first-principle calculations
DOI:10.1016/j.commatsci.2014.08.028  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2014
  TC:0  AU: Feng, Songke;Li, Shuangming;Li, Xin;Fu, Hengzhi;
19:107:4     A theoretical investigation on thermoelectric performance of ternary (Bi1-xSbx)(2)Te-3 compound
DOI:10.1007/s10853-013-7286-9  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:2  AU: Lu, Pengfei;Wu, Chengjie;Li, Yiluan;Yu, Zhongyuan;Cao, Huawei;Gao, Tao;Wang, Shumin;
19:107:5     Thermoelectric properties of quaternary (Bi, Sb)(2)(Te, Se)(3) compound
DOI:10.1016/j.jallcom.2013.08.141  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Lu, Pengfei;Li, Yiluan;Wu, Chengjie;Yu, Zhongyuan;Cao, Huawei;Zhang, Xianlong;Cai, Ningning;Zhong, Xuxia;Wang, Shumin;
19:107:6     Thermoelectric Properties of Highly Deformed and Subsequently Annealed p-Type (Bi0.25Sb0.75)(2)Te-3 Alloys
DOI:10.1007/s11664-013-2851-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Jung, Sung-Jin;Kim, Seong Keun;Park, Hyung-Ho;Hyun, Dow-Bin;Baek, Seung-Hyub;Kim, Jin-Sang;
19:107:7     Thermoelectric properties of Bi2SexTe3-x prepared by Bridgman method
DOI:10.1016/j.jallcom.2011.06.116  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:5  AU: Keawprak, N.;Lao-ubol, S.;Eamchotchawalit, C.;Sun, Z. M.;
19:107:8     Single-Crystal Growth of Bi-Sb-Te Thermoelectric Materials by Halide Chemical Vapor Transport Technique
DOI:10.1007/s11664-011-1849-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Koyano, Mikio;Tanaka, Junya;Suekuni, Koichiro;Ariga, Tomoki;
19:107:9     Thermoelectric characteristics of the (Bi,Sb)(2)(Te,Se)(3) nanocomposites processed with nanoparticle dispersion
DOI:10.1016/j.ceramint.2011.05.069  JN:CERAMICS INTERNATIONAL  PY:2012
  TC:5  AU: Kim, M. Y.;Yeo, Y. H.;Park, D. H.;Oh, T. S.;
19:107:10     First-principles study on the electronic structure and transport properties of Mn3Cu4Bi4
DOI:10.1016/j.commatsci.2013.10.031  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2014
  TC:1  AU: Chen, Song;Cai, Kefeng;Wang, Chunlei;
19:108:1     Enhanced asymmetrical transport of carriers induced by local structural distortion in chemically tuned titania: A possible mechanism for enhancing thermoelectric properties
DOI:10.1103/PhysRevB.88.205201  JN:PHYSICAL REVIEW B  PY:2013
  TC:0  AU: Liu, C.;Miao, L.;Hu, D.;Huang, R.;Fisher, C. A. J.;Tanemura, S.;Gu, H.;
19:108:2     Enhancement of the NaxCoO2 thermopower due to electronic correlations
DOI:10.1103/PhysRevB.82.201106  JN:PHYSICAL REVIEW B  PY:2010
  TC:10  AU: Wissgott, P.;Toschi, A.;Usui, H.;Kuroki, K.;Held, K.;
19:108:3     First-principles study of the electronic structure and optical properties of Ce-doped ZnO
DOI:10.1063/1.3561436  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:14  AU: Zhang, Yun Geng;Zhang, Guang Biao;Wang, Yuan Xu;
19:108:4     Ideal band shape in the potential thermoelectric material CuAlO2: Comparison to NaxCoO2
DOI:10.1103/PhysRevB.88.075141  JN:PHYSICAL REVIEW B  PY:2013
  TC:2  AU: Mori, Kouta;Sakakibara, Hirofumi;Usui, Hidetomo;Kuroki, Kazuhiko;
19:108:5     Effects of electronic correlations and disorder on the thermopower of NaxCoO2
DOI:10.1103/PhysRevB.84.085129  JN:PHYSICAL REVIEW B  PY:2011
  TC:7  AU: Wissgott, P.;Toschi, A.;Sangiovanni, G.;Held, K.;
19:108:6     Enhancement of the effective disorder potential and thermopower in NaxCoO2 through electron-phonon coupling
DOI:10.1103/PhysRevB.86.035123  JN:PHYSICAL REVIEW B  PY:2012
  TC:1  AU: Sangiovanni, G.;Wissgott, P.;Assaad, F.;Toschi, A.;Held, K.;
19:108:7     Electronic structure and optical properties of CuInO2 under equibiaxial strain
DOI:10.1016/j.commatsci.2012.02.018  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2012
  TC:2  AU: Ghosh, C. K.;
19:108:8     Density functional theory study of 3R-and 2H-CuAlO2 under pressure
DOI:10.1063/1.3499659  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:8  AU: Liu, Qi-Jun;Liu, Zheng-Tang;Feng, Li-Ping;Tian, Hao;Liu, Wen-Ting;Yan, Feng;
19:108:9     Theoretical Study of Electronic Structure and Thermoelectric Properties of Doped CuAlO2
DOI:10.1007/s11664-010-1475-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:8  AU: Poopanya, P.;Yangthaisong, A.;Rattanapun, C.;Wichainchai, A.;
19:109:1     Phonon-phonon interactions in transition metals
DOI:10.1103/PhysRevB.84.094302  JN:PHYSICAL REVIEW B  PY:2011
  TC:6  AU: Chaput, Laurent;Togo, Atsushi;Tanaka, Isao;Hug, Gilles;
19:109:2     Lattice dynamics in the FeSb3 skutterudite
DOI:10.1103/PhysRevB.84.064302  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: Moechel, A.;Sergueev, I.;Nguyen, N.;Long, Gary J.;Grandjean, Fernande;Johnson, D. C.;Hermann, R. P.;
19:109:3     Vibrational dynamics of the host framework in Sn clathrates
DOI:10.1103/PhysRevB.90.104304  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Leu, Bogdan M.;Sturza, Mihai;Hu, Michael Y.;Gosztola, David;Baran, Volodymyr;Faessler, Thomas F.;Alp, E. Ercan;
19:109:4     Nanostructured Clathrate Phonon Glasses: Beyond the Rattling Concept
DOI:10.1021/nl501021m  JN:NANO LETTERS  PY:2014
  TC:3  AU: He, Yuping;Galli, Giulia;
19:109:5     Phononic filter effect of rattling phonons in the thermoelectric clathrate Ba8Ge40+xNi6-x
DOI:10.1103/PhysRevB.86.224303  JN:PHYSICAL REVIEW B  PY:2012
  TC:7  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;
19:109:6     Guest host interaction and low energy host structure dynamics in tin clathrates
DOI:10.1063/1.4793081  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Christensen, Sebastian;Bjerg, Lasse;Kaltzoglou, Andreas;Juranyi, Fanni;Faessler, Thomas;Unruh, Tobias;Christensen, Mogens;
19:109:7     Localization of Propagative Phonons in a Perfectly Crystalline Solid
DOI:10.1103/PhysRevLett.113.025506  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:0  AU: Pailhes, S.;Euchner, H.;Giordano, V. M.;Debord, R.;Assy, A.;Gomes, S.;Bosak, A.;Machon, D.;Paschen, S.;de Boissieu, M.;
19:109:8     Direct Solution to the Linearized Phonon Boltzmann Equation
DOI:10.1103/PhysRevLett.110.265506  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:3  AU: Chaput, Laurent;
19:109:9     Is the angular momentum of a ferromagnetic sample after exposure to a fs laser pulse conserved?
DOI:10.1016/j.jmmm.2013.07.05  JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS  PY:2013
  TC:4  AU: Faehnle, Manfred;Haag, Michael;Illg, Christian;
19:109:10     Dynamics of Kr in dense clathrate hydrates
DOI:10.1103/PhysRevB.83.184116  JN:PHYSICAL REVIEW B  PY:2011
  TC:2  AU: Klug, D. D.;Tse, J. S.;Zhao, J. Y.;Sturhahn, W.;Alp, E. E.;Tulk, C. A.;
19:109:11     Moments in nuclear resonant inelastic x-ray scattering and their applications
DOI:10.1103/PhysRevB.87.064301  JN:PHYSICAL REVIEW B  PY:2013
  TC:4  AU: Hu, Michael Y.;Toellner, Thomas S.;Dauphas, Nicolas;Alp, E. Ercan;Zhao, Jiyong;
19:110:1     High temperature thermoelectric properties of Bi2Sr2Co2Oy/Ag composites
DOI:10.1016/j.jallcom.2012.11.107  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:11  AU: Wang, Shufang;Bai, Zilong;Wang, Haifeng;Lu, Qing;Wang, Jianglong;Fu, Guangsheng;
19:110:2     Metal-semiconductor-transition observed in Bi2Ca(Sr, Ba)(2)Co2O8+delta single crystals
DOI:10.1063/1.4891845  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Dong, Song-Tao;Zhang, Bin-Bin;Zhang, Lun-Yong;Chen, Y. B.;Yao, Shu-Hua;Zhou, Jian;Zhang, Shan-Tao;Gu, Zheng-Bin;Chen, Yan-Feng;
19:110:3     Fabrication and thermoelectric properties of c-axis oriented nanocrystalline Bi2Sr2Co2Oy thin films
DOI:10.1016/j.tsf.2013.02.107  JN:THIN SOLID FILMS  PY:2013
  TC:1  AU: Wang, Shufang;Chen, Shanshan;Yan, Guoying;Liu, Fuqiang;Dai, Shouyu;Wang, Jianglong;Yu, Wei;Fu, Guangsheng;
19:110:4     Enhanced thermoelectric figure-of-merit ZT for hole-doped Bi2Sr2Co2Oy through Pb substitution
DOI:10.1063/1.4720075  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:10  AU: Hsu, H. C.;Lee, W. L.;Wu, K. K.;Kuo, Y. K.;Chen, B. H.;Chou, F. C.;
19:110:5     Enhanced Thermoelectric Properties of Hole-Doped Bi2-x Ba (x) Sr2Co2O (y) Ceramics
DOI:10.1007/s11664-014-3086-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:5  AU: He, Q. L.;Qin, Z.;Zhang, J.;Gao, F.;Hu, X.;Song, H. Z.;
19:110:6     The contribution of narrow band and modulation of thermoelectric performance in doped layered cobaltites Bi2Sr2Co2Oy
DOI:10.1063/1.4705429  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:8  AU: Yin, L. H.;Ang, R.;Huang, Y. N.;Jiang, H. B.;Zhao, B. C.;Zhu, X. B.;Song, W. H.;Sun, Y. P.;
19:110:7     Exotic reinforcement of thermoelectric power driven by Ca doping in layered Bi2Sr2-xCaxCo2Oy
DOI:10.1063/1.4801644  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Yin, L. H.;Ang, R.;Huang, Z. H.;Liu, Y.;Tan, S. G.;Huang, Y. N.;Zhao, B. C.;Song, W. H.;Sun, Y. P.;
19:110:8     Effect of annealing on the thermoelectric properties of directionally grown Bi2Sr2Co1.8Ox ceramics
DOI:10.1016/j.ceramint.2012.03.052  JN:CERAMICS INTERNATIONAL  PY:2012
  TC:8  AU: Diez, J. C.;Rasekh, Sh.;Constantinescu, G.;Madre, M. A.;Torres, M. A.;Sotelo, A.;
19:110:9     Relationship between microstructure and thermoelectric properties of Bi(2)Sr(2)Co(2)Ox bulk materials
DOI:10.1557/jmr.2014.135  JN:JOURNAL OF MATERIALS RESEARCH  PY:2014
  TC:2  AU: Combe, Emmanuel;Funahashi, Ryoji;Azough, Feridoon;Freer, Robert;
19:110:10     Lithium-nickel cobalt oxides with spinel structure prepared at low temperature. XRD, XPS, and EIS measurements
DOI:10.1016/j.matlet.2011.11.108  JN:MATERIALS LETTERS  PY:2012
  TC:17  AU: Meza, E.;Ortiz, J.;Ruiz-Leon, D.;Marco, J. F.;Gautier, J. L.;
19:111:1     Interplay between thermoelectric and structural properties of type-I clathrate K8Ga8Sn38 single crystals
DOI:10.1103/PhysRevB.81.165110  JN:PHYSICAL REVIEW B  PY:2010
  TC:17  AU: Tanaka, T.;Onimaru, T.;Suekuni, K.;Mano, S.;Fukuoka, H.;Yamanaka, S.;Takabatake, T.;
19:111:2     Synthesis, Structural Characterization, and Physical Properties of the Type-I Clathrates A(8)Zn(18)As(28) (A = K, Rb, Cs) and Cs8Cd18As28
DOI:10.1021/cm3020226  JN:CHEMISTRY OF MATERIALS  PY:2012
  TC:12  AU: He, Hua;Zevalkink, Alex;Gibbs, Zachary M.;Snyder, G. Jeffrey;Bobev, Svilen;
19:111:3     Simple Approach for Selective Crystal Growth of Intermetallic Clathrates
DOI:10.1021/cm103135k  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:21  AU: Stefanoski, Stevce;Beekman, Matt;Wong-Ng, Winnie;Zavalij, Peter;Nolas, George S.;
19:111:4     Off-center rattling and thermoelectric properties of type-II clathrate (K, Ba)(24)(Ga, Sn, square)(136) single crystals
DOI:10.1103/PhysRevB.84.214101  JN:PHYSICAL REVIEW B  PY:2011
  TC:7  AU: Mano, S.;Onimaru, T.;Yamanaka, S.;Takabatake, T.;
19:111:5     Harmonic Debye-Waller analysis of anharmonic vibrations
DOI:10.1103/PhysRevB.85.174105  JN:PHYSICAL REVIEW B  PY:2012
  TC:4  AU: Safarik, D. J.;Llobet, A.;Lashley, J. C.;
19:111:6     Localized anharmonic rattling of Al atoms in VAl10.1
DOI:10.1103/PhysRevB.85.014103  JN:PHYSICAL REVIEW B  PY:2012
  TC:8  AU: Safarik, D. J.;Klimczuk, T.;Llobet, A.;Byler, D. D.;Lashley, J. C.;O'Brien, J. R.;Dilley, N. R.;
19:111:7     Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A(8)Cu(2.67)Sn(43.33) and A(8)Zn(4)Sn(42) (A = K, Rb, Cs) with the Type-I Structure
DOI:10.1021/cm402276n  JN:CHEMISTRY OF MATERIALS  PY:2013
  TC:0  AU: Schaefer, Marion C.;Bobev, Svilen;
19:111:8     Superconductivity in Ban+2Ir4nGe12n+4 (n=1,2) with cage structure and softening of low-lying localized mode
DOI:10.1103/PhysRevB.88.140507  JN:PHYSICAL REVIEW B  PY:2013
  TC:2  AU: Guo, Jiangang;Yamaura, Jun-ichi;Lei, Hechang;Matsuishi, Satoru;Qi, Yanpeng;Hosono, Hideo;
19:111:9     Tin Clathrates with the Type II Structure
DOI:10.1021/ja3112934  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2013
  TC:7  AU: Schaefer, Marion C.;Bobev, Svilen;
19:111:10     Intrinsic Electrical and Thermal Properties from Single Crystals of Na24Si136
DOI:10.1103/PhysRevLett.104.018301  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:14  AU: Beekman, M.;Schnelle, W.;Borrmann, H.;Baitinger, M.;Grin, Yu.;Nolas, G. S.;
19:111:11     Complex changes in the framework of endohedrally Na-doped type II Si clathrates with respect to Na content
DOI:10.1007/s10853-012-6886-0  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:5  AU: Ban, Takayuki;Ogura, Takuya;Ohashi, Yoshitaka;Himeno, Roto;Ohashi, Fumitaka;Kume, Tetsuji;Ohya, Yutaka;Natsuhara, Hironori;Iida, Tamio;Habuchi, Hitoe;Nonomura, Shuichi;
19:111:12     X-ray absorption spectroscopy studies of local structure and electronic properties of NaxSi136 (0 < x < 24) clathrates
DOI:10.1103/PhysRevB.82.155207  JN:PHYSICAL REVIEW B  PY:2010
  TC:5  AU: Ritchie, Andrew D.;MacDonald, Mark A.;Zhang, Peng;White, Mary Anne;Beekman, Matt;Gryko, Jan;Nolas, George S.;
19:111:13     Crystal Structure and Superconductivity of BaIr2Ge7 and Ba3Ir4Ge16 with Two-Dimensional Ba-Ge Networks
DOI:10.1021/ja5011527  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:1  AU: Ishida, Shigeyuki;Yanagi, Yousuke;Oka, Kunihiko;Kataoka, Kunimitsu;Fujihisa, Hiroshi;Kito, Hijiri;Yoshida, Yoshiyuki;Iyo, Akira;Hase, Izumi;Gotoh, Yoshito;Eisaki, Hiroshi;
19:112:1     Bottom-up solution chemistry approaches for nanostructured thermoelectric materials
DOI:10.1039/c3ta12896b  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:5  AU: Benoit, Roland;Hornebecq, Virginie;Weill, Francois;Lecren, Lollita;Bourrat, Xavier;Treguer-Delapierre, Mona;
19:112:2     Significant improvement of thermoelectric performance in nanostructured bismuth networks
DOI:10.1016/j.nanoen.2012.06.005  JN:NANO ENERGY  PY:2012
  TC:1  AU: Keskar, Gayatri;Iyyamperumal, Eswaramoorthi;Hitchcock, Dale A.;He, Jian;Rao, Apparao M.;Pfefferle, Lisa D.;
19:112:3     Enhancement of thermoelectric figure of merit in bismuth nanotubes
DOI:10.1063/1.3463473  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:10  AU: Zhou, G.;Li, L.;Li, G. H.;
19:112:4     Semimetal to semiconductor transition and thermoelectric properties of bismuth nanotubes
DOI:10.1063/1.3593193  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:13  AU: Zhou, G.;Li, L.;Li, G. H.;
19:112:5     Phonon thermal conductivity of GaN nanotubes
DOI:10.1063/1.4736421  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Zhou, Gang;Li, Liangliang;
19:112:6     Light-Activated Tandem Catalysis Driven by Multicomponent Nanomaterials
DOI:10.1021/ja410465s  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:5  AU: Zahran, Elsayed M.;Bedford, Nicholas M.;Nguyen, Michelle A.;Chang, Yao-Jen;Guiton, Beth S.;Naik, Rajesh R.;Bachas, Leonidas G.;Knecht, Marc R.;
19:112:7     High-Yield Synthesis and Structure of Double-Walled Bismuth-Nanotubes
DOI:10.1021/nl903291j  JN:NANO LETTERS  PY:2010
  TC:26  AU: Boldt, Regine;Kaiser, Martin;Koehler, Daniel;Krumeich, Frank;Ruck, Michael;
19:112:8     Chemical Degradation of Drinking Water Disinfection Byproducts by Millimeter-Sized Particles of Iron-Silicon and Magnesium-Aluminum Alloys
DOI:10.1021/ja908821d  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2010
  TC:13  AU: Li, Tianyu;Chen, Yongmei;Wan, Pingyu;Fan, Maohong;Yang, X. Jin;
19:112:9     Development of reactive Pd/Fe bimetallic nanotubes for dechlorination reactions
DOI:10.1039/c1jm11435b  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:12  AU: Zahran, Elsayed M.;Bhattacharyya, Dibakar;Bachas, Leonidas G.;
19:113:1     Thermal conductivity of Si nanostructures containing defects: Methodology, isotope effects, and phonon trapping
DOI:10.1103/PhysRevB.84.035317  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: Gibbons, T. M.;Kang, By.;Estreicher, S. K.;Carbogno, Christian;
19:113:2     Force-matching-based parameterization of the Stillinger-Weber potential for thermal conduction in silicon
DOI:10.1103/PhysRevB.85.125204  JN:PHYSICAL REVIEW B  PY:2012
  TC:11  AU: Lee, Yongjin;Hwang, Gyeong S.;
19:113:3     Effects of vacancy defects on thermal conductivity in crystalline silicon: A nonequilibrium molecular dynamics study
DOI:10.1103/PhysRevB.83.125202  JN:PHYSICAL REVIEW B  PY:2011
  TC:11  AU: Lee, Yongjin;Lee, Sangheon;Hwang, Gyeong S.;
19:113:4     Microsegregation effects on the thermal conductivity of silicon-germanium alloys
DOI:10.1063/1.4828884  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Lee, Yongjin;Hwang, Gyeong S.;
19:113:5     Mechanism of thermal conductivity suppression in doped silicon studied with nonequilibrium molecular dynamics
DOI:10.1103/PhysRevB.86.075202  JN:PHYSICAL REVIEW B  PY:2012
  TC:0  AU: Lee, Yongjin;Hwang, Gyeong S.;
19:113:6     Effects of impurities on the lattice dynamics of nanocrystalline silicon for thermoelectric application
DOI:10.1007/s10853-012-6827-y  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:6  AU: Claudio, Tania;Schierning, Gabi;Theissmann, Ralf;Wiggers, Hartmut;Schober, Helmut;Koza, Michael Marek;Hermann, Raphael P.;
19:113:7     Molecular dynamics simulations of damage production by thermal spikes in Ge
DOI:10.1063/1.3682108  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Lopez, Pedro;Pelaz, Lourdes;Santos, Ivan;Marques, Luis A.;Aboy, Maria;
19:113:8     Amorphous defect clusters of pure Si and type inversion in Si detectors
DOI:10.1103/PhysRevB.82.104111  JN:PHYSICAL REVIEW B  PY:2010
  TC:3  AU: Holmstrom, E.;Nordlund, K.;Hakala, M.;
19:114:1     Ineffectiveness of energy filtering at grain boundaries for thermoelectric materials
DOI:10.1103/PhysRevB.86.115320  JN:PHYSICAL REVIEW B  PY:2012
  TC:6  AU: Bachmann, M.;Czerner, M.;Heiliger, C.;
19:114:2     Thermoelectric Properties of Nanostructured Bismuth-Doped Lead Telluride Bi (x) (PbTe)(1-x) Prepared by Co-Ball-Milling
DOI:10.1007/s11664-013-2832-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Falkenbach, Oliver;Hartung, David;Klar, Peter J.;Koch, Guenter;Schlecht, Sabine;
19:114:3     Thermoelectric Measurements on Sputtered ZnO/ZnS Multilayers
DOI:10.1007/s11664-010-1293-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:13  AU: Homm, G.;Piechotka, M.;Kronenberger, A.;Laufer, A.;Gather, F.;Hartung, D.;Heiliger, C.;Meyer, B. K.;Klar, P. J.;Steinmueller, S. O.;Janek, J.;
19:114:4     Solvothermal synthesis and analysis of Bi1-xSbx nanoparticles
DOI:10.1016/j.mseb.2010.12.004  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2011
  TC:7  AU: Sumithra, S.;Misra, D. K.;Wei, C.;Gabrisch, H.;Poudeu, P. F. P.;Stokes, K. L.;
19:114:5     Possibility of enhancing the thermoelectric figure of merit of ZnO by sulfur incorporation
DOI:10.1063/1.4819158  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:3  AU: Gather, F.;Kronenberger, A.;Hartung, D.;Becker, M.;Polity, A.;Klar, P. J.;Meyer, B. K.;
19:114:6     Effect of Bismuth Nanotubes on the Thermoelectric Properties of BiSb Alloy Nanocomposites
DOI:10.1007/s11664-014-2989-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Guenes, Ekrem;Landschreiber, Bernadette;Hartung, David;Elm, Matthias T.;Rohner, Christian;Klar, Peter J.;Schlecht, Sabine;
19:114:7     Structural and Thermoelectric Properties of Bi1-x Sb (x) Nanoalloys Prepared by Mechanical Alloying
DOI:10.1007/s11664-012-2455-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Landschreiber, Bernadette;Guenes, Ekrem;Homm, Gert;Will, Christian;Tomes, Petr;Rohner, Christian;Sesselmann, Andreas;Klar, Peter J.;Paschen, Silke;Mueller, Eckhard;Schlecht, Sabine;
19:114:8     A facile route to prepare PdPt alloys for ethanol electro-oxidation in alkaline electrolyte
DOI:10.1016/j.matlet.2010.10.006  JN:MATERIALS LETTERS  PY:2011
  TC:11  AU: Lin, Sheng-Chieh;Chen, Jing-Yu;Hsieh, Yi-Fan;Wu, Pu-Wei;
19:114:9     Calculation of Thermoelectric Transport Properties in Heterostructures
DOI:10.1007/s11664-010-1458-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Bachmann, M.;Czerner, M.;Heiliger, C.;
19:114:10     Effect of Interface Regions on the Thermoelectric Properties of Alternating ZnO/ZnO:Al Stripe Structures
DOI:10.1007/s11664-011-1574-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:2  AU: Homm, G.;Petznick, S.;Gather, F.;Henning, T.;Heiliger, C.;Meyer, B. K.;Klar, P. J.;
19:114:11     Preparation and characterization of Cu3Sn nanoparticles via a facile ultrasonic irradiation
DOI:10.1016/j.matlet.2011.08.115  JN:MATERIALS LETTERS  PY:2012
  TC:2  AU: Li, Zhi-Wei;Li, Xiao-Hong;Tao, Xiao-Jun;Zhang, Zhi-Jun;Yu, Lai-Gui;
19:114:12     Effect of Composition on Thermoelectric Properties in PbTe-Bi2Te3 Composites
DOI:10.1007/s11664-010-1485-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:1  AU: Yim, Ju-Hyuk;Jung, Kyooho;Kim, Hyo-Jung;Park, Hyung-Ho;Park, Chan;Kim, Jin-Sang;
19:114:13     Evidence for self-organization processes in PbTe-Bi2Te3 semiconductor solid solutions
DOI:10.1557/jmr.2011.165  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:4  AU: Rogacheva, Elena;Vodorez, Olga;Pinegin, Vladimir;Nashchekina, Olga;
19:115:1     Structure and thermomechanical behavior of bent GaN nanowires
DOI:10.1016/j.commatsci.2013.09.008  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2014
  TC:0  AU: Jung, Kwangsub;Cho, Maenghyo;Zhou, Min;
19:115:2     Thermal conductivity prediction for GaN nanowires from atomistic potential
DOI:10.1063/1.4816788  JN:AIP ADVANCES  PY:2013
  TC:1  AU: Jung, Kwangsub;Cho, Maenghyo;Zhou, Min;
19:115:3     Thermal and mechanical response of [0001]-oriented GaN nanowires during tensile loading and unloading
DOI:10.1063/1.4759282  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:7  AU: Jung, Kwangsub;Cho, Maenghyo;Zhou, Min;
19:115:4     Strain dependence of thermal conductivity of [0001]-oriented GaN nanowires
DOI:10.1063/1.3549691  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:8  AU: Jung, Kwangsub;Cho, Maenghyo;Zhou, Min;
19:115:5     Lattice thermal conductivity of freestanding gallium nitride nanowires
DOI:10.1063/1.3463358  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:10  AU: Zou, Jie;
19:115:6     Nanoscale size dependence parameters on lattice thermal conductivity of Wurtzite GaN nanowires
DOI:10.1016/j.materresbull.2011.12.025  JN:MATERIALS RESEARCH BULLETIN  PY:2012
  TC:8  AU: Mamand, S. M.;Omar, M. S.;Muhammad, A. J.;
19:115:7     Strain-driven phase transition of molybdenum nanowire under uniaxial tensile strain
DOI:10.1016/j.commatsci.2010.08.029  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2010
  TC:6  AU: Wang, Jiaming;Hu, Wangyu;Li, Xiaofan;Xiao, Shifang;Deng, Huiqiu;
19:115:8     Thermal conductivity of deformed carbon nanotubes
DOI:10.1063/1.3573509  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:4  AU: Zhong, Wei-Rong;Zhang, Mao-Ping;Zheng, Dong-Qin;Ai, Bao-Quan;
19:115:9     Non-destructive Evaluations of Gallium Nitride Nanowires
DOI:10.1016/j.matlet.2010.04.063  JN:MATERIALS LETTERS  PY:2010
  TC:4  AU: Verma, S. K.;Yadav, R. R.;Yadav, A. K.;Joshi, Bipin;
19:116:1     Enhanced Performance of Dispenser Printed MA n-type Bi2Te3 Composite Thermoelectric Generators
DOI:10.1021/am301759a  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2012
  TC:12  AU: Madan, Deepa;Wang, Zuoqian;Chen, Alic;Juang, Rei-cheng;Keist, Jay;Wright, Paul K.;Evans, Jim W.;
19:116:2     Dispenser printed composite thermoelectric thick films for thermoelectric generator applications
DOI:10.1063/1.3544501  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:15  AU: Madan, Deepa;Chen, Alic;Wright, Paul K.;Evans, James W.;
19:116:3     First-principle calculation and quasi-harmonic Debye model prediction for elastic and thermodynamic properties of Bi2Te3
DOI:10.1016/j.commatsci.2013.09.037  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2014
  TC:1  AU: Feng, Songke;Li, Shuangming;Fu, Hengzhi;
19:116:4     Printed Se-Doped MA n-Type Bi2Te3 Thick-Film Thermoelectric Generators
DOI:10.1007/s11664-011-1885-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:7  AU: Madan, Deepa;Chen, Alic;Wright, Paul K.;Evans, James W.;
19:116:5     High-Performance Dispenser Printed MA p-Type Bi0.5Sb1.5Te3 Flexible Thermoelectric Generators for Powering Wireless Sensor Networks
DOI:10.1021/am403568t  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2013
  TC:5  AU: Madan, Deepa;Wang, Zuoqian;Chen, Alic;Wright, Paul K.;Evans, James W.;
19:116:6     Dispenser printed circular thermoelectric devices using Bi and Bi0.5Sb1.5Te3
DOI:10.1063/1.4861057  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Madan, Deepa;Wang, Zuoqian;Chen, Alic;Winslow, Rich;Wright, Paul K.;Evans, James W.;
19:116:7     Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon states
DOI:10.1103/PhysRevB.86.224301  JN:PHYSICAL REVIEW B  PY:2012
  TC:1  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD)  in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum  coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;
19:116:8     The Effects of Thermoelectric Film Thickness on Performance of In-Plane Thermoelectric Modules
DOI:10.1007/s11664-012-2067-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Yamamoto, Akihiro;Hagino, Harutoshi;Hashimoto, Yoshihiro;Miyazaki, Koji;
19:117:1     A review of the growth of V2O5 films from 1885 to 2010
DOI:10.1016/j.tsf.2010.11.001  JN:THIN SOLID FILMS  PY:2011
  TC:53  AU: Beke, Szabolcs;
19:117:2     Nanostructured p-type Cr/V2O5 thin films with boosted thermoelectric properties
DOI:10.1039/c3ta15168a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:2  AU: Loureiro, Joana;Santos, Joao R.;Nogueira, Adriana;Wyczisk, Frederic;Divay, Laurent;Reparaz, Sebastian;Alzina, Francesc;Sotomayor Torres, Clivia M.;Cuffe, John;Montemor, Fatima;Martins, Rodrigo;Ferreira, Isabel;
19:117:3     Phonons and related spectra in bulk and monolayer V2O5
DOI:10.1103/PhysRevB.89.045109  JN:PHYSICAL REVIEW B  PY:2014
  TC:1  AU: Bhandari, Churna;Lambrecht, Walter R. L.;
19:117:4     Thermoelectric properties of V2O5 thin films deposited by thermal evaporation
DOI:10.1016/j.apsusc.2013.06.016  JN:APPLIED SURFACE SCIENCE  PY:2013
  TC:7  AU: Santos, R.;Loureiro, J.;Nogueira, A.;Elangovan, E.;Pinto, J. V.;Veiga, J. P.;Busani, T.;Fortunato, E.;Martins, R.;Ferreira, I.;
19:117:5     Thermoelectric Properties of Fine-Grained PbTe Bulk Materials Fabricated by Cryomilling and Spark Plasma Sintering
DOI:10.2320/matertrans.M2010331  JN:MATERIALS TRANSACTIONS  PY:2011
  TC:6  AU: Kuo, Chia-Hung;Chien, Hsiu-Shan;Hwang, Chii-Shyang;Chou, Ya-Wen;Jeng, Ming-Shan;Yoshimura, Masahiro;
19:117:6     Three-colored electrochromic lithiated vanadium oxides: the role of surface superoxides in the electro-generation of the red state
DOI:10.1039/c4tc01123f  JN:JOURNAL OF MATERIALS CHEMISTRY C  PY:2014
  TC:1  AU: Zanarini, S.;Lupo, Di;Bedini, A.;Vankova, S.;Garino, N.;Francia, C.;Bodoardo, S.;
19:117:7     Photoluminescence in Nd-doped V2O5
DOI:10.1007/s10853-013-7927-z  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:1  AU: Aquino-Meneses, L.;Lozada-Morales, R.;del Angel-Vicente, P.;Percino-Picazo, J. C.;Zelaya-Angel, O.;Becerril, M.;Carmona-Rodriguez, J.;Rodriguez-Melgarejo, F.;Jimenez-Sandoval, S.;
19:117:8     Structural and optical properties of nanostructural V2O5 thin films deposited by spray pyrolysis technique: Effect of the substrate temperature
DOI:10.1016/j.matchemphys.2013.01.046  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2013
  TC:5  AU: Irani, R.;Rozati, S. M.;Beke, S.;
19:117:9     Phonons and related spectra in bulk and monolayer V2O5 (vol 89, 045109, 2014)
DOI:10.1103/PhysRevB.89.239903  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Bhandari, Churna;Lambrecht, Walter R. L.;
19:117:10     Studies of phase formation from the ZnO-CdO-V(2)0(5) ternary system
DOI:10.1016/j.jnoncryso1.2013.11.039  JN:JOURNAL OF NON-CRYSTALLINE SOLIDS  PY:2014
  TC:2  AU: Lozada-Morales, R.;Aquino-Meneses, L.;Lopez-Calzada, G.;Zayas, Ma E.;Zelaya-Angel, O.;Carmona-Rodriguez, J.;Rodriguez-Melgarejo, F.;Jimenez-Sandoval, S.;del Angel-Vicente, P.;Palacios-Gonzalez, E.;
19:118:1     Giant piezoresistance in silicon-germanium alloys
DOI:10.1103/PhysRevB.86.035205  JN:PHYSICAL REVIEW B  PY:2012
  TC:3  AU: Murphy-Armando, F.;Fahy, S.;
19:118:2     Ab initio calculation of electron-phonon scattering time in germanium
DOI:10.1103/PhysRevB.84.035201  JN:PHYSICAL REVIEW B  PY:2011
  TC:11  AU: Tyuterev, V. G.;Obukhov, S. V.;Vast, N.;Sjakste, J.;
19:118:3     Giant enhancement of n-type carrier mobility in highly strained germanium nanostructures
DOI:10.1063/1.3590334  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:14  AU: Murphy-Armando, F.;Fahy, S.;
19:118:4     Theoretical intrinsic lifetime limit of shallow donor states in silicon
DOI:10.1103/PhysRevB.81.245212  JN:PHYSICAL REVIEW B  PY:2010
  TC:12  AU: Tyuterev, Valeriy;Sjakste, Jelena;Vast, Nathalie;
19:118:5     Thermoelectric transport properties of silicon: Toward an ab initio approach
DOI:10.1103/PhysRevB.83.205208  JN:PHYSICAL REVIEW B  PY:2011
  TC:8  AU: Wang, Zhao;Wang, Shidong;Obukhov, Sergey;Vast, Nathalie;Sjakste, Jelena;Tyuterev, Valery;Mingo, Natalio;
19:118:6     First principles calculation of electron-phonon and alloy scattering in strained SiGe
DOI:10.1063/1.3669446  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:4  AU: Murphy-Armando, F.;Fahy, S.;
19:118:7     First-principles calculation of carrier-phonon scattering in n-type Si1-xGex alloys (vol 78, 035202, 2008)
DOI:10.1103/PhysRevB.86.079903  JN:PHYSICAL REVIEW B  PY:2012
  TC:0  AU: Murphy-Armando, F.;Fahy, S.;
19:118:8     Giant enhancement of n-type carrier mobility in highly strained germanium nanostructures (vol 109, 113703, 2011)
DOI:10.1063/1.4752888  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:0  AU: Murphy-Armando, F.;Fahy, S.;
19:118:9     Full-Band Monte Carlo investigation of hole mobilities in SiGe, SiC and SiGeC alloys
DOI:10.1016/j.tsf.2009.10.147  JN:THIN SOLID FILMS  PY:2010
  TC:4  AU: Michaillat, M.;Rideau, D.;Aniel, F.;Tavernier, C.;Jaouen, H.;
19:119:1     Influence of the La/M Network on Magnetic Properties of Mn-4 Tetrahedra in Intermetallic Compounds La21-delta Mn8M7C12 (M = Ge, Sn, Sb, Te, Bi)
DOI:10.1021/cm1028595  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:6  AU: Zaikina, Julia V.;Schellenberg, Inga;Benbow, Evan M.;Poettgen, Rainer;Latturner, Susan E.;
19:119:2     Metal to Semimetal Transition in CaMgSi Crystals Grown from Mg-Al Flux
DOI:10.1021/cm9033275  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:12  AU: Whalen, Jeffrey B.;Zaikina, Julia V.;Achey, Randall;Stillwell, Ryan;Zhou, Haidong;Wiebe, Christopher R.;Latturner, Susan E.;
19:119:3     Reaction of Methane with Bulk Intermetallics Containing Iron Clusters Yields Carbon Nanotubes
DOI:10.1021/cm400422c  JN:CHEMISTRY OF MATERIALS  PY:2013
  TC:2  AU: Tucker, Patricia C.;Lita, Adrian;Latturner, Susan E.;
19:119:4     Ca2LiC3H: A New Complex Carbide Hydride Phase Grown in Metal Flux
DOI:10.1021/ja107436n  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2010
  TC:7  AU: Lang, David A.;Zaikina, Julia V.;Lovingood, Derek D.;Gedris, Thomas E.;Latturner, Susan E.;
19:119:5     A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes
DOI:10.1021/ja303370j  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:2  AU: Tucker, Patricia C.;Nyffeler, Jason;Chen, Banghao;Ozarowski, Andrew;Stillwell, Ryan;Latturner, Susan E.;
19:119:6     Gd13Fe10C13: Indications of Fe-Fe Multiple Bonding Emerging from Chemical Frustration
DOI:10.1021/ja3034944  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2012
  TC:4  AU: Hadler, Amelia B.;Fredrickson, Daniel C.;
19:119:7     Competing Phases, Complex Structure, and Complementary Diffraction Studies of R(3-delta)FeAl(4-x)Mg(x)Tt(2) Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge; x < 0.5)
DOI:10.1021/cm401976s  JN:CHEMISTRY OF MATERIALS  PY:2013
  TC:3  AU: Ma, Xiaowei;Whalen, Jeffrey B.;Cao, Huibo;Latturner, Susan E.;
19:119:8     A Two-Coordinate Manganese(0) Complex with an Unsupported Mn-Mg Bond: Allowing Access to Low Coordinate Homo- and Heterobimetallic Compounds
DOI:10.1021/ja5021348  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:4  AU: Hicks, Jamie;Hoyer, Chad E.;Moubaraki, Boujemaa;Manni, Giovanni Li;Carter, Emma;Murphy, Damien M.;Murray, Keith S.;Gagliardi, Laura;Jones, Cameron;
19:119:9     pi-Conjugation in Gd13Fe10C13 and Its Oxycarbide: Unexpected Connections between Complex Carbides and Simple Organic Molecules
DOI:10.1021/ja505868w  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:0  AU: Hadler, Amelia B.;Yannello, Vincent J.;Bi, Wenli;Alp, E. Ercan;Fredrickson, Daniel C.;
19:119:10     Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds
DOI:10.1021/ja1089777  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2010
  TC:18  AU: Lei, Hao;Guo, Jing-Dong;Fettinger, James C.;Nagase, Shigeru;Power, Philip P.;
19:119:11     MgSrSi-Type Compounds as a Possible New Family of Thermoelectric Materials
DOI:10.1007/s11664-012-2226-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Katsura, Yukari;Takagi, Hidenori;
19:119:12     Self-organized nanorods in disproportionated Sm2Fe17 and NdFe10.5Mo1.5 alloys
DOI:10.1016/j.jmmm.2012.09.017  JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS  PY:2013
  TC:1  AU: Xing, Meiying;Han, Jingzhi;Lin, Zhong;Wan, Fangming;Liu, Shunquan;Wang, Changsheng;Xu, Qing;Yang, Jinbo;Yang, Yingchang;
19:119:13     An intermetallic Fe-Zr catalyst used for growing long carbon nanotube arrays
DOI:10.1016/j.matlet.2010.05.045  JN:MATERIALS LETTERS  PY:2010
  TC:2  AU: Zhao, Haibo;Bradford, Philip D.;Wang, Xin;Liu, Wei;Luo, Tzy Jiun Mark;Jia, Quanxi;Zhu, Yuntian;Yuan, Fuh-Gwo;
19:119:14     Ca54In13B4-xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions
DOI:10.1021/cm5007982  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:3  AU: Blankenship, Trevor V.;Chen, Banghao;Latturner, Susan E.;
19:119:15     Transition from Heavy-Fermion to Mixed-Valence Behavior in Ce1-xYxAl3: A Quantitative Comparison with the Anderson Impurity Model
DOI:10.1103/PhysRevLett.104.176402  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:2  AU: Goremychkin, E. A.;Osborn, R.;Sashin, I. L.;Riseborough, P.;Rainford, B. D.;Adroja, D. T.;Lawrence, J. M.;
19:120:1     Modeling of concentrating solar thermoelectric generators
DOI:10.1063/1.3642988  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:13  AU: McEnaney, Kenneth;Kraemer, Daniel;Ren, Zhifeng;Chen, Gang;
19:120:2     Solar Thermoelectric Generator for Micropower Applications
DOI:10.1007/s11664-010-1190-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:40  AU: Amatya, R.;Ram, R. J.;
19:120:3     Theoretical efficiency of solar thermoelectric energy generators
DOI:10.1063/1.3583182  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:29  AU: Chen, Gang;
19:120:4     Modeling of thin-film solar thermoelectric generators
DOI:10.1063/1.4803123  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Weinstein, L. A.;McEnaney, K.;Chen, G.;
19:120:5     Feasibility Study on the Use of a Solar Thermoelectric Cogenerator Comprising a Thermoelectric Module and Evacuated Tubular Collector with Parabolic Trough Concentrator
DOI:10.1007/s11664-012-2076-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Miao, L.;Zhang, M.;Tanemura, S.;Tanaka, T.;Kang, Y. P.;Xu, G.;
19:120:6     SOLAR ENERGY The thermoelectric alternative
DOI:10.1038/nmat3057  JN:NATURE MATERIALS  PY:2011
  TC:14  AU: Karni, Jacob;
19:120:7     Optimized working conditions for a thermoelectric generator as a topping cycle for gas turbines
DOI:10.1063/1.4757008  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Knowles, C. Brady;Lee, Hohyun;
19:120:8     Thin-Film Thermoelectric Modules for Power Generation Using Focused Solar Light
DOI:10.1007/s11664-012-2047-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:8  AU: Mizoshiri, Mizue;Mikami, Masashi;Ozaki, Kimihiro;Kobayashi, Keizo;
19:121:1     Microstructure of thermoelectric (Bi0.15Sb0.85)(2)Te-3 film
DOI:10.1007/s00339-014-8560-7  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2014
  TC:0  AU: Yildiz, Koksal;Akgul, Unal;Leipner, Hartmut S.;Atici, Yusuf;
19:121:2     Formation and characterization of polyethylene terephthalate-based (Bi0.15Sb0.85)(2)Te-3 thermoelectric modules with CoSb3 adhesion layer by aerosol deposition
DOI:10.1016/j.jallcom.2013.11.180  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Baba, So;Sato, Hiroshi;Huang, Lan;Uritani, Akiko;Funahashi, Ryoji;Akedo, Jun;
19:121:3     Manufacture and Testing of Thermoelectric Modules Consisting of BxC and TiOx Elements
DOI:10.1002/adem.201400183  JN:ADVANCED ENGINEERING MATERIALS  PY:2014
  TC:0  AU: Feng, Bing;Martin, Hans-Peter;Boerner, Floriana-Dana;Lippmann, Wolfgang;Schreier, Max;Vogel, Karin;Lenk, Andreas;Veremchuk, Igor;Dannowski, Marcel;Richter, Christin;Pfeiffer, Peter;Zikoridse, Gennadi;Lichte, Hannes;Grin, Juri;Hurtado, Antonio;Michaelis, Alexander;
19:121:4     Development of (Bi,Sb)(2)(Te,Se)(3)-Based Thermoelectric Modules by a Screen-Printing Process
DOI:10.1007/s11664-010-1187-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:9  AU: Navone, C.;Soulier, M.;Plissonnier, M.;Seiler, A. L.;
19:121:5     Microstructure and thermoelectric properties of p-type Bi-Sb-Te-Se thin films prepared by electrodeposition method
DOI:10.1016/j.tsf.2011.10.020  JN:THIN SOLID FILMS  PY:2012
  TC:6  AU: Zhu, Yan-Bing;Wang, Wei;
19:121:6     Pulsed Electroplating: a Derivate Form of Electrodeposition for Improvement of (Bi1-xSbx)(2)Te-3 Thin Films
DOI:10.1007/s11664-009-1054-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:12  AU: Richoux, Virginie;Diliberto, Sebastien;Boulanger, Clotilde;
19:121:7     Electrical and Structural Real-Time Changes in Thin Thermoelectric (Bi0.15Sb0.85)(2)Te-3 Films by Dynamic Thermal Treatment
DOI:10.1007/s11664-010-1325-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:3  AU: Rothe, K.;Stordeur, M.;Heyroth, F.;Syrowatka, F.;Leipner, H. S.;
19:121:8     Antimony Telluride Thin Films Electrodeposited in an Alkaline Electrolyte
DOI:10.1007/s11664-011-1647-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Qiu, W. J.;Yang, S. H.;Zhu, T. J.;Xie, J.;Zhao, X. B.;
19:121:9     Optimization and Fabrication of a Thick Printed Thermoelectric Device
DOI:10.1007/s11664-011-1572-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:5  AU: Navone, C.;Soulier, M.;Testard, J.;Simon, J.;Caroff, T.;
19:121:10     Electrochemical Deposition and Characterization of Thermoelectric Ternary (BixSb1-x)(2)Te-3 and Bi-2(Te1-ySey)(3) Thin Films
DOI:10.1007/s11664-011-1790-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Ma, Yi;Wijesekara, Waruna;Palmqvist, Anders E. C.;
19:121:11     Effect of hot-press treatment on electrochemically deposited antimony telluride film
DOI:10.1016/j.tsf.2011.04.106  JN:THIN SOLID FILMS  PY:2011
  TC:1  AU: Qiu, Wujun;Yang, Shenghui;Zhao, Xinbing;
19:122:1     NdFeAsO1-xFx Superconductor - Impact of Fluorine Variation on Microstructure and Transport Properties
DOI:10.1111/jace.12138  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2013
  TC:2  AU: Aswathy, Pillai Mohan;Anooja, Jayakumari Babu;Syamaprasad, Upendran;
19:122:2     Electrical transport properties of F-doped LaFeAsO oxypnictide
DOI:10.1016/j.jallcom.2010.08.138  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:8  AU: Zhao, Li-Dong;Berardan, David;Dragoe, Nita;
19:122:3     Composition-dependent transport properties of Ag1-xPb18SbTe20 prepared by high pressure
DOI:10.1016/j.jallcom.2010.11.038  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:0  AU: Su, Taichao;Zhu, Hongyu;Li, Hongtao;Li, Xiaolei;Li, Shangsheng;Deng, Le;Zheng, Shizao;Ma, Hongan;Jia, Xiaopeng;
19:122:4     Transport and magnetic properties of yttrium doped NdFeAs(O,F) superconductor
DOI:10.1016/j.jallcom.2013.02.125  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:3  AU: Anooja, J. B.;Aswathy, P. M.;Varghese, Neson;Vinod, K.;Bharathi, A.;Syamaprasad, U.;
19:122:5     Fabrication of Ag-Sn-Sb-Te based thermoelectric materials by MA-PAS and their properties
DOI:10.1016/j.jallcom.2010.07.146  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:6  AU: Wu, Jin;Yang, Junyou;Zhang, Hui;Zhang, Jiansheng;Feng, Shuanglong;Liu, Ming;Peng, Jiangying;Zhu, Wen;Zou, Tao;
19:122:6     A novel low temperature synthesis route for SmFeAsO1-xFx bulk superconductor with improved transport properties
DOI:10.1016/j.jallcom.2011.11.041  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:8  AU: Anooja, J. B.;Aswathy, P. M.;Sarun, P. M.;Syamaprasad, U.;
19:122:7     SmFeAsO Superconductor with Preferred Crystallographic Orientation and Enhanced Critical Current Density
DOI:10.1111/jace.12888  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2014
  TC:0  AU: Anooja, Jayakumari B.;Aswathy, Pillai M.;Varghese, Neson;Aloysius, Rajappan P.;Syamaprasad, Upendran;
19:122:8     Microstructural refinement and enhanced transport properties in binary doped NdFeAsO superconductor
DOI:10.1063/1.4863182  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Aswathy, P. M.;Anooja, J. B.;Varghese, Neson;Syamaprasad, U.;
19:122:9     Superconductivity and mechanical properties for LaFe1-xZnxAsO0.85F0.15
DOI:10.1016/j.jallcom.2013.02.104  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:0  AU: Pei, Yanling;Berardan, David;Dragoe, Nita;Barreteau, Celine;Sui, Jiehe;Zhao, Li-Dong;
19:122:10     Superconductivity in fluorine and yttrium co-doped SmFeAsO
DOI:10.1063/1.4712309  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Lai, K. T.;Kwong, F. L.;Ng, Dickon H. L.;
19:122:11     Magnetic characterization of polycrystalline NdFeAsO0.88F0.12 oxypnictide superconductor
DOI:10.1016/j.jallcom.2010.11.050  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:5  AU: Ding, Y.;Sun, Y.;Wang, X. D.;Shi, Z. X.;Ren, Z. A.;Yang, J.;Lu, W.;
19:122:12     Thermoelectric Properties of Sn-Substituted AgPbmSbTe(m+2) via the Route of Mechanical Alloying and Plasma-Activated Sintering
DOI:10.1007/s11664-012-1908-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Wu, Jin;Yang, Jun-You;Zhang, Jian-Sheng;Li, Gen;Peng, Jiang-Ying;Xiao, Ye;Fu, Liang-Wei;Liu, Qiong-Zhen;
19:123:1     Enhanced thermoelectric performance in p-type BiSbTe bulk alloy with nanoinclusion of ZnAlO
DOI:10.1063/1.3541654  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:25  AU: Zhang, Ting;Zhang, Qiushi;Jiang, Jun;Xiong, Zhen;Chen, Jianmin;Zhang, Yulong;Li, Wei;Xu, Gaojie;
19:123:2     Enhanced thermoelectric figure of merit in p-type BiSbTeSe alloy with ZnSb addition
DOI:10.1039/c2ta00452f  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:6  AU: Zhang, Ting;Jiang, Jun;Xiao, Yukun;Zhai, Yongbiao;Yang, Shenghui;Xu, Gaojie;
19:123:3     Enhanced thermoelectric performance in In1-xGaxSb originating from the scattering of point defects and nanoinclusion
DOI:10.1039/c1jm10542f  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:8  AU: Zhang, Qiushi;Xiong, Zhen;Jiang, Jun;Li, Wei;Xu, Gaojie;Bai, Shengqiang;Cui, Ping;Chen, Lidong;
19:123:4     Enhanced thermoelectric figure of merit in p-type Bi0.48Sb1.52Te3 alloy with WSe2 addition
DOI:10.1039/c4ta01554a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:3  AU: Xiao, Yukun;Chen, Guoxin;Qin, Haiming;Wu, Menglei;Xiao, Zhepeng;Jiang, Jun;Xu, Jingtao;Jiang, Haochuan;Xu, Gaojie;
19:123:5     Effect of Cooling Conditions on the Microstructure and Thermoelectric Properties of Zn/Si-Codoped InSb
DOI:10.1007/s11664-013-2606-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Kim, Donghun;Kurosaki, Ken;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:123:6     Thermoelectric properties of Zn-doped GaSb
DOI:10.1063/1.3678012  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Kim, Chang-eun;Kurosaki, Ken;Muta, Hiroaki;Ohishi, Yuji;Yamanaka, Shinsuke;
19:124:1:1     Growth and optical properties of Sn-Si nanocomposite thin films
DOI:10.1007/s10853-012-6647-0  JN:JOURNAL OF MATERIALS SCIENCE  PY:2012
  TC:4  AU: Mohiddon, Md. Ahamad;Krishna, M. Ghanashyam;
19:124:1:2     Chromium oxide as a metal diffusion barrier layer: An x-ray absorption fine structure spectroscopy study
DOI:10.1063/1.4863309  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Mohiddon, Md Ahamad;Naidu, K. Lakshun;Krishna, M. Ghanashyam;Dalba, G.;Ahmed, S. I.;Rocca, F.;
19:124:1:3     Growth, optical, and electrical properties of silicon films produced by the metal-induced crystallization process
DOI:10.1007/s11051-011-0444-6  JN:JOURNAL OF NANOPARTICLE RESEARCH  PY:2011
  TC:9  AU: Mohiddon, M. A.;Naidu, K. Lakshun;Krishna, M. Ghanashyam;Dalba, G.;Rocca, F.;
19:124:1:4     Transmission electron microscopy study of Ni-Si nanocomposite films
DOI:10.1016/j.mseb.2012.05.018  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2012
  TC:4  AU: Mohiddon, Md Ahamad;Krishna, M. Ghanashyam;Dalba, G.;Rocca, F.;
19:124:1:5     Effect of High Temperature Deposition on the Diffusion of Nickel in Amorphous Silicon Thin Films
DOI:10.1007/s13391-013-3192-1  JN:ELECTRONIC MATERIALS LETTERS  PY:2014
  TC:0  AU: Mohiddon, Md. Ahamad;Krishna, M. Ghanashyam;
19:124:1:6     Nanocrystalline wurtzite Si-nickel silicide composite thin films with large band gap and high resistivity
DOI:10.1007/s10853-010-5124-x  JN:JOURNAL OF MATERIALS SCIENCE  PY:2011
  TC:6  AU: Mohiddon, Md. Ahamad;Krishna, M. Ghanashyam;
19:124:1:7     Effect of bilayer geometry on the diffusion of Ni in amorphous Si and the consequent growth of silicides
DOI:10.1116/1.4757134  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2012
  TC:2  AU: Mohiddon, Mahamad Ahamad;Krishna, Mamidipudi Ghanashyam;
19:124:1:8     Effect of thermal annealing on disorder and optical properties of Cr/Si bilayer thin films
DOI:10.1080/14786435.2014.959578  JN:PHILOSOPHICAL MAGAZINE  PY:2014
  TC:0  AU: Naidu, Kuna Lakshun;Krishna, Mamidipudi Ghanashyam;
19:124:1:9     Tin induced a-Si crystallization in thin films of Si-Sn alloys
DOI:10.1063/1.4837661  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Neimash, V.;Poroshin, V.;Shepeliavyi, P.;Yukhymchuk, V.;Melnyk, V.;Kuzmich, A.;Makara, V.;Goushcha, A. O.;
19:124:1:10     Non-saturating magnetic behaviour of a ferromagnetic semiconductor metal nanocomposite
DOI:10.1016/j.jmmm.2009.04.075  JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS  PY:2010
  TC:1  AU: Rumpf, K.;Granitzer, P.;Poelt, P.;
19:124:2:1     Phase transformations in the system Cr-Si-W-O
DOI:10.1016/j.jallcom.2011.03.024  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:2  AU: Matskevich, N. I.;Semenova, Z. I.;
19:124:2:2     Migration of CrSi2 nanocrystals through nanopipes in the silicon cap
DOI:10.1016/j.apsusc.2010.05.025  JN:APPLIED SURFACE SCIENCE  PY:2010
  TC:8  AU: Galkin, N. G.;Dozsa, L.;Chusovitin, E. A.;Pecz, B.;Dobos, L.;
19:124:2:3     Cr3Si doped by Co studied by muon spin relaxation and scanning electron microscopy techniques
DOI:10.1016/j.jallcom.2010.03.119  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:3  AU: Zaleski, P.;Szymanski, K.;Przewoznik, J.;Recko, K.;Cottrell, S.;Dobrzynski, L.;
19:125:1:1     Simultaneous measurement of thermal diffusivity and optical absorption coefficient using photothermal radiometry. II Multilayered solids
DOI:10.1063/1.3614525  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:8  AU: Salazar, Agustin;Fuente, Raquel;Apinaniz, Estibaliz;Mendioroz, Arantza;Celorrio, R.;
19:125:1:2     Simultaneous measurement of thermal diffusivity and optical absorption coefficient using photothermal radiometry. I. Homogeneous solids
DOI:10.1063/1.3614524  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:17  AU: Fuente, Raquel;Apinaniz, Estibaliz;Mendioroz, Arantza;Salazar, Agustin;
19:125:1:3     Photothermal characterization of the thermal properties of materials using four characteristic modulation frequencies in two-layer systems
DOI:10.1063/1.4754552  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Vales-Pinzon, C.;Ordonez-Miranda, J.;Alvarado-Gil, J. J.;
19:125:1:4     Effect of the multiple reflections of a light beam on the thermal wave field of a sample of finite thickness
DOI:10.1063/1.4717115  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Zambrano-Arjona, M. A.;Ordonez-Miranda, J.;Medina-Esquivel, R. A.;Penunuri, F.;Martinez, P.;Alvarado-Gil, J. J.;
19:125:1:5     Thermal quadrupole method applied to flat and spherical semi-transparent multilayers heated up with a modulated laser beam
DOI:10.1063/1.4767917  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Ordonez-Miranda, J.;Alvarado-Gil, J. J.;
19:125:1:6     Thermal conductivity profile determination in proton-irradiated ZrC by spatial and frequency scanning thermal wave methods
DOI:10.1063/1.4821432  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Jensen, C.;Chirtoc, M.;Horny, N.;Antoniow, J. S.;Pron, H.;Ban, H.;
19:125:1:7     Photoacoustic monitoring of thermal wave interference effects during the formation of polymeric thin films from solutions
DOI:10.1007/s00339-011-6524-8  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2011
  TC:3  AU: Martinez-Torres, P.;Alvarado-Gil, J. J.;
19:125:2:1     Accurate reconstruction of the thermal conductivity depth profile in case hardened steel
DOI:10.1063/1.3357378  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:10  AU: Celorrio, Ricardo;Apinaniz, Estibaliz;Mendioroz, Arantza;Salazar, Agustin;Mandelis, Andreas;
19:125:2:2     Analysis of the Tikhonov regularization to retrieve thermal conductivity depth-profiles from infrared thermography data
DOI:10.1063/1.3475498  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:5  AU: Apinaniz, Estibaliz;Mendioroz, Arantza;Salazar, Agustin;Celorrio, Ricardo;
19:125:2:3     Focus shift photothermal method for thermal diffusivity mapping
DOI:10.1063/1.4730636  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Mingolo, N.;Martinez, O. E.;
19:125:2:4     Two-dimensional imaging of thermal diffusivity in metals by scanning photodeflection detection
DOI:10.1063/1.3289218  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:3  AU: Archiopoli, Ulises Crossa;Mingolo, Nelida;Martinez, Oscar E.;
19:125:3:1     Optical and thermal depth profile reconstructions of inhomogeneous photopolymerization in dental resins using photothermal waves
DOI:10.1063/1.3475712  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:4  AU: Martinez-Torres, P.;Mandelis, A.;Alvarado-Gil, J. J.;
19:125:3:2     Similarity normalization method for thermal conductivity depth profile reconstructions from inhomogeneous cylindrical and flat solids using thermal waves
DOI:10.1063/1.3285413  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:6  AU: Liu, Liwang;Wang, Chinhua;Yuan, Xiao;Mandelis, Andreas;
19:125:3:3     Singular resonance in the high-frequency photoacoustic effect with multilayers
DOI:10.1063/1.4820568  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Hu, Hanping;Xu, Jun;Xia, Xiang;Wu, Shaobin;Liu, Yanlong;Li, Ang;
19:125:4:1     Thermal characterization of composites made up of magnetically aligned carbonyl iron particles in a polyester resin matrix
DOI:10.1063/1.3691592  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:6  AU: Medina-Esquivel, R. A.;Zambrano-Arjona, M. A.;Mendez-Gamboa, J. A.;Yanez-Limon, J. M.;Ordonez-Miranda, J.;Alvarado-Gil, J. J.;
19:125:4:2     Experimental characterization of thermal conductance switching in magnetorheological fluids
DOI:10.1063/1.3350906  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:6  AU: Cha, Gilhwan;Ju, Y. Sungtaek;Ahure, Louise A.;Wereley, Norman M.;
19:126:1     Thermal Conductivity of an Individual Bismuth Nanowire Covered with a Quartz Template Using a 3-Omega Technique
DOI:10.1007/s11664-013-2520-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Hasegawa, Yasuhiro;Murata, Masayuki;Tsunemi, Fumiaki;Saito, Yusuke;Shirota, Katsuhito;Komine, Takashi;Dames, Chris;Garay, Javier E.;
19:126:2     Thermoelectric properties for single crystal bismuth nanowires using a mean free path limitation model
DOI:10.1063/1.3630014  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:8  AU: Nakamura, Daiki;Murata, Masayuki;Yamamoto, Hiroya;Hasegawa, Yasuhiro;Komine, Takashi;
19:126:3     Four-Wire Resistance Measurements of a Bismuth Nanowire Encased in a Quartz Template Utilizing Focused Ion Beam Processing
DOI:10.1007/s11664-012-1986-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Murata, Masayuki;Yamamoto, Hiroya;Tsunemi, Fumiaki;Hasegawa, Yasuhiro;Komine, Takashi;
19:126:4     Electrical Nanocontact Between Bismuth Nanowire Edges and Electrodes
DOI:10.1007/s11664-010-1282-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:7  AU: Murata, Masayuki;Nakamura, Daiki;Hasegawa, Yasuhiro;Komine, Takashi;Uematsu, Daisuke;Nakamura, Shinichiro;Taguchi, Takashi;
19:126:5     Thermoelectric Properties of a 593-nm Individual Bismuth Nanowire Prepared Using a Quartz Template
DOI:10.1007/s11664-009-1045-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:8  AU: Nakamura, Daiki;Murata, Masayuki;Hasegawa, Yasuhiro;Komine, Takashi;Uematsu, Daisuke;Nakamura, Shinichiro;Taguchi, Takashi;
19:126:6     Temperature Coefficient of Electrical Resistivity in Individual Single-Crystal Bismuth Nanowires
DOI:10.1007/s11664-013-2552-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Murata, Masayuki;Tsunemi, Fumiaki;Saito, Yusuke;Shirota, Katsuhito;Fujiwara, Keisuke;Hasegawa, Yasuhiro;Komine, Takashi;
19:126:7     Numerical Analysis of Effective Thermal Conductivity of Microwire Array Element
DOI:10.1007/s11664-010-1266-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:5  AU: Komine, Takashi;Kuraishi, Masahiro;Teramoto, Takayuki;Sugita, Ryuji;Hasegawa, Yasuhiro;Murata, Masayuki;Nakamura, Daiki;
19:126:8     Crystal Orientation and Transport Properties of a 633-nm-Diameter Bismuth Nanowire
DOI:10.1007/s11664-010-1480-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:4  AU: Hasegawa, Yasuhiro;Nakamura, Daiki;Murata, Masayuki;Yamamoto, Hiroya;Komine, Takashi;Taguchi, Takashi;Nakamura, Shinichiro;
19:127:1     Electronic and thermoelectric properties of Fe2VAl: The role of defects and disorder
DOI:10.1103/PhysRevB.83.205204  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: Bilc, Daniel I.;Ghosez, Philippe;
19:127:2     Investigation of weak itinerant ferromagnetism and critical behavior of Y2Ni7
DOI:10.1103/PhysRevB.84.184414  JN:PHYSICAL REVIEW B  PY:2011
  TC:3  AU: Bhattacharyya, A.;Jain, Deepti;Ganesan, V.;Giri, S.;Majumdar, S.;
19:127:3     Observation of magnetic cluster phase above Curie temperature in Fe2CrAl Heusler alloy
DOI:10.1016/j.jmmm.2011.11.014  JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS  PY:2012
  TC:3  AU: Saha, Ritwik;Srinivas, V.;Venimadhav, A.;
19:127:4     Ferromagnetic quantum singularities and small pseudogap formation in Heusler type Fe2+xV1-xAl
DOI:10.1103/PhysRevB.85.085130  JN:PHYSICAL REVIEW B  PY:2012
  TC:2  AU: Naka, T.;Sato, K.;Taguchi, M.;Nakane, T.;Ishikawa, F.;Yamada, Yuh;Takaesu, Y.;Nakama, T.;Matsushita, A.;
19:127:5     Magnetic field effects on transport properties of PtSn4
DOI:10.1103/PhysRevB.85.035135  JN:PHYSICAL REVIEW B  PY:2012
  TC:6  AU: Mun, Eundeok;Ko, Hyunjin;Miller, Gordon J.;Samolyuk, German D.;Bud'ko, Sergey L.;Canfield, Paul. C.;
19:127:6     Effect of site disorder on the electronic properties of Fe2VAl Heusler alloy
DOI:10.1016/j.jallcom.2013.05.175  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:3  AU: Venkatesh, Ch;Srinivas, V.;Rao, V. V.;Srivastava, S. K.;Babu, P. Sudheer;
19:127:7     Weak itinerant ferromagnetism in Heusler-type Fe2VAl0.95
DOI:10.1103/PhysRevB.82.104408  JN:PHYSICAL REVIEW B  PY:2010
  TC:6  AU: Sato, K.;Naka, T.;Taguchi, M.;Nakane, T.;Ishikawa, F.;Yamada, Y.;Takaesu, Y.;Nakama, T.;de Visser, A.;Matsushita, A.;
19:127:8     Short-range ferromagnetic correlations in disordered Fe2VGa with distinct similarities to the Griffiths phase
DOI:10.1103/PhysRevB.84.075154  JN:PHYSICAL REVIEW B  PY:2011
  TC:4  AU: Slebarski, A.;Goraus, J.;Fijalkowski, M.;
19:127:9     Effect of onsite Coulomb repulsion on thermoelectric properties of full-Heusler compounds with pseudogaps
DOI:10.1103/PhysRevB.84.125104  JN:PHYSICAL REVIEW B  PY:2011
  TC:3  AU: Do, Dat;Lee, Mal-Soon;Mahanti, S. D.;
19:127:10     Nearly itinerant ferromagnetism in CaNi2 and CaNi3
DOI:10.1103/PhysRevB.85.224432  JN:PHYSICAL REVIEW B  PY:2012
  TC:1  AU: Jesche, A.;Dennis, K. W.;Kreyssig, A.;Canfield, P. C.;
19:127:11     Single crystal growth from light, volatile and reactive materials using lithium and calcium flux
DOI:10.1080/14786435.2014.913114  JN:PHILOSOPHICAL MAGAZINE  PY:2014
  TC:2  AU: Jesche, A.;Canfield, P. C.;
19:127:12     Magnetic field effects on transport properties of PtSn4 (vol 85, 035135, 2012)
DOI:10.1103/PhysRevB.86.079909  JN:PHYSICAL REVIEW B  PY:2012
  TC:0  AU: Mun, Eundeok;Ko, Hyunjin;Miller, Gordon J.;Samolyuk, German D.;Bud'ko, Sergey L.;Canfield, Paul C.;
19:128:1     Thermal resistance of metal nanowire junctions in the ballistic regime
DOI:10.1103/PhysRevB.83.115425  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: Venkatesh, R.;Amrit, Jay;Chalopin, Yann;Volz, Sebastian;
19:128:2     Ballistic Thermal Conductance of a Lab-in-a-TEM Made Si Nanojunction
DOI:10.1021/nl302379f  JN:NANO LETTERS  PY:2012
  TC:6  AU: Jalabert, L.;Sato, T.;Ishida, T.;Fujita, H.;Chalopin, Y.;Volz, S.;
19:128:3     Thermal resistance of a nanoscale point contact to an indium arsenide nanowire
DOI:10.1063/1.3623758  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:7  AU: Zhou, Feng;Persson, Ann;Samuelson, Lars;Linke, Heiner;Shi, Li;
19:128:4     Anomalous thermal conductivity by surface phonon-polaritons of polar nano thin films due to their asymmetric surrounding media
DOI:10.1063/1.4793498  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:9  AU: Ordonez-Miranda, J.;Tranchant, Laurent;Tokunaga, Takuro;Kim, Beomjoon;Palpant, Bruno;Chalopin, Yann;Antoni, Thomas;Volz, Sebastian;
19:128:5     Thermal conductivity of ZnTe nanowires
DOI:10.1063/1.4824687  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Davami, Keivan;Weathers, Annie;Kheirabi, Nazli;Mortazavi, Bohayra;Pettes, Michael T.;Shi, Li;Lee, Jeong-Soo;Meyyappan, M.;
19:128:6     Quantized thermal transport across contacts of rough surfaces
DOI:10.1038/NMAT3460  JN:NATURE MATERIALS  PY:2013
  TC:23  AU: Gotsmann, B.;Lantz, M. A.;
19:128:7     Quantized Thermal Conductance of Nanowires at Room Temperature Due to Zenneck Surface-Phonon Polaritons
DOI:10.1103/PhysRevLett.112.055901  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:1  AU: Ordonez-Miranda, Jose;Tranchant, Laurent;Kim, Beomjoon;Chalopin, Yann;Antoni, Thomas;Volz, Sebastian;
19:128:8     Mesoscopic Size Effects on the Thermal Conductance of Silicon Nanowire (vol 9, pg 1861, 2009)
DOI:10.1021/nl101622x  JN:NANO LETTERS  PY:2010
  TC:4  AU: Heron, J. S.;Fournier, T.;Mingo, N.;Bourgeois, O.;
19:128:9     Quantized thermal conductance via phononic heat transport in nanoscale devices at low temperatures
DOI:10.1103/PhysRevB.89.134309  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Kaeso, M.;Wulf, U.;
19:128:10     Exceptional plasticity of silicon nanobridges
DOI:10.1088/0957-4484/22/35/355704  JN:NANOTECHNOLOGY  PY:2011
  TC:7  AU: Ishida, Tadashi;Cleri, Fabrizio;Kakushima, Kuniyuki;Mita, Makoto;Sato, Takaaki;Miyata, Masaki;Itamura, Noriaki;Endo, Junji;Toshiyoshi, Hiroshi;Sasaki, Naruo;Collard, Dominique;Fujita, Hiroyuki;
19:128:11     Thermal conductivity of nano-layered systems due to surface phonon-polaritons
DOI:10.1063/1.4864430  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:5  AU: Ordonez-Miranda, Jose;Tranchant, Laurent;Chalopin, Yann;Antoni, Thomas;Volz, Sebastian;
19:128:12     In situ TEM observation of nanobonding formation between silicon MEMS tips
DOI:10.1088/0957-4484/21/43/435705  JN:NANOTECHNOLOGY  PY:2010
  TC:4  AU: Ishida, Tadashi;Kakushima, Kuniyuki;Sasaki, Naruo;Fujita, Hiroyuki;
19:128:13     Time-Lapse Nanoscopy of Friction in the Non-Amontons and Non-Coulomb Regime
DOI:10.1021/nl5032502  JN:NANO LETTERS  PY:2015
  TC:0  AU: Ishida, Tadashi;Sato, Takaaki;Ishikawa, Takahiro;Oguma, Masatsugu;Itamura, Noriaki;Goda, Keisuke;Sasaki, Naruo;Fujita, Hiroyuki;
19:129:1     Dissociated dislocations in Bi2Te3 and their relationship to seven-layer Bi3Te4 defects
DOI:10.1007/s10853-014-8035-4  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:1  AU: Medlin, D. L.;Erickson, K. J.;Limmer, S. J.;Yelton, W. G.;Siegal, M. P.;
19:129:2     Structures of dissociated < 1 (1)over-bar 0 0 > dislocations and {1 (1)over-bar 0 0} stacking faults of alumina (alpha-Al2O3)
DOI:10.1016/j.actamat.2009.08.067  JN:ACTA MATERIALIA  PY:2010
  TC:15  AU: Tochigi, E.;Shibata, N.;Nakamura, A.;Mizoguchi, T.;Yamamoto, T.;Ikuhara, Y.;
19:129:3     Analysis of dissociated dislocations in a deformed bicrystal close to the rhombohedral twin orientation in -alumina
DOI:10.1080/14786435.2012.752885  JN:PHILOSOPHICAL MAGAZINE  PY:2013
  TC:2  AU: Lartigue-Korinek, S.;Duparc, O. Hardouin;Lagerloef, K. P. D.;Moulahem, S.;Hallil, A.;
19:129:4     Titanium enrichment and strontium depletion near edge dislocation in strontium titanate [001]/(110) low-angle tilt grain boundary
DOI:10.1007/s10853-014-8034-5  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:1  AU: Takehara, K.;Sato, Y.;Tohei, T.;Shibata, N.;Ikuhara, Y.;
19:129:5     Dynamic observations of dislocation behavior in SrTiO3 by in situ nanoindentation in a transmission electron microscope
DOI:10.1063/1.4710558  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:3  AU: Kondo, Shun;Shibata, Naoya;Mitsuma, Tasuku;Tochigi, Eita;Ikuhara, Yuichi;
19:129:6     Plastic Deformation of < 001 > Single-Crystal SrTiO3 by Compression at Room Temperature
DOI:10.1111/j.1551-2916.2011.04473.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2011
  TC:6  AU: Yang, Kai-Hsun;Ho, New-Jin;Lu, Hong-Yang;
19:129:7     Dislocation structures in a {(1)over-bar104}/< 11(2)over-bar0 > low-angle tilt grain boundary of alumina (alpha-Al2O3)
DOI:10.1007/s10853-011-5430-y  JN:JOURNAL OF MATERIALS SCIENCE  PY:2011
  TC:3  AU: Tochigi, E.;Shibata, N.;Nakamura, A.;Yamamoto, T.;Ikuhara, Y.;
19:129:8     Dislocation structure at a {(1)over-bar2(1)over-bar0}/< 10(1)over-bar0 > low-angle tilt grain boundary in LiNbO3
DOI:10.1007/s10853-012-6373-7  JN:JOURNAL OF MATERIALS SCIENCE  PY:2012
  TC:2  AU: Nakamura, Atsutomo;Tochigi, Eita;Nakamura, Jun-nosuke;Kishida, Ippei;Yokogawa, Yoshiyuki;
19:129:9     Core structure and dissociation energetics of basal edge dislocation in alpha-Al2O3: A combined atomistic simulation and transmission electron microscopy analysis
DOI:10.1016/j.actamat.2013.11.035  JN:ACTA MATERIALIA  PY:2014
  TC:2  AU: Tsuruta, Kenji;Tochigi, Eita;Kezuka, Yuki;Takata, Kazuaki;Shibata, Naoya;Nakamura, Atsutomo;Ikuhara, Yuichi;
19:129:10     Plasticity of an alumina bicrystal near the rhombohedral twin orientation
DOI:10.1007/s10853-010-5242-5  JN:JOURNAL OF MATERIALS SCIENCE  PY:2011
  TC:1  AU: Moulahem, Shehrazed;Lartigue-Korinek, Sylvie;Castaing, Jacques;
19:130:1     High-Temperature Transport Property of In2-xCexO3 (0=x=0.10) Fine Grained Ceramics
DOI:10.1111/j.1551-2916.2012.05206.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2012
  TC:15  AU: Liu, Yong;Lin, Yuan-Hua;Xu, Wei;Cheng, Bo;Lan, Jinle;Chen, Dongliang;Zhu, Hongmin;Nan, Ce-Wen;
19:130:2     High Thermoelectric Performance of Nanostructured In2O3-Based Ceramics
DOI:10.1111/j.1551-2916.2012.05284.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2012
  TC:8  AU: Lan, Jinle;Lin, Yuan-Hua;Liu, Yong;Xu, Shaoliang;Nan, Ce-Wen;
19:130:3     Relation between thermolectric properties and phase equilibria in the ZnO-In2O3 binary system
DOI:10.1016/j.actamat.2013.10.027  JN:ACTA MATERIALIA  PY:2014
  TC:3  AU: Liang, Xin;Clarke, David R.;
19:130:4     Effect of Transition-Metal Cobalt Doping on the Thermoelectric Performance of In2O3 Ceramics
DOI:10.1111/j.1551-2916.2010.03904.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2010
  TC:16  AU: Liu, Yong;Lin, Yuan-Hua;Lan, Jinle;Xu, Wei;Zhang, Bo-Ping;Nan, Ce-Wen;Zhu, Hongmin;
19:130:5     Enhanced Densification and Thermoelectric Performance of In4Sn3O12 by Reactive Sintering in the In-Sn-Ga-O System
DOI:10.1111/j.1551-2916.2011.04650.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2011
  TC:4  AU: Zhou, T.;Bhame, S. D.;Guilmeau, E.;Marinel, S.;Raveau, B.;
19:130:6     Fabrication of Titanium Oxide-Based Composites by Reactive SPS Sintering and Their Thermoelectric Properties
DOI:10.1007/s11664-013-2581-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Fuda, K.;Shoji, T.;Kikuchi, S.;Kunihiro, Y.;Sugiyama, S.;
19:130:7     Synthesis and thermoelectric properties of oxygen deficient fluorite derivative Ga3-xIn5+xSn2O16
DOI:10.1063/1.3495797  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:4  AU: Bhame, S. D.;Zhou, T.;Guilmeau, E.;Kinemuchi, Y.;Delorme, F.;Raveau, B.;
19:130:8     Thermoelectric Performance of Zn and Ge Co-Doped In2O3 Fine-Grained Ceramics by the Spark Plasma Sintering
DOI:10.1111/j.1551-2916.2011.04640.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2011
  TC:6  AU: Cheng, Bo;Fang, Hui;Lan, Jinle;Liu, Yong;Lin, Yuan-Hua;Nan, Ce-Wen;
19:130:9     Thermoelectric Performance of Zn and Nd Co-doped In2O3 Ceramics
DOI:10.1007/s11664-011-1546-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:4  AU: Liu, Yong;Lin, Yuan-Hua;Lan, Jinle;Zhang, Bo-Ping;Xu, Wei;Nan, Ce-Wen;Zhu, Hongmin;
19:131:1     An Extremely Simple Thermocouple Made of a Single Layer of Metal
DOI:10.1002/adma.201200644  JN:ADVANCED MATERIALS  PY:2012
  TC:5  AU: Liu, Haixiao;Sun, Weiqiang;Xu, Shengyong;
19:131:2     Unexpected size effect in the thermopower of thin-film stripes
DOI:10.1063/1.3653824  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:7  AU: Sun, Weiqiang;Liu, Haixiao;Gong, Weiwei;Peng, Lian-Mao;Xu, Sheng-Yong;
19:131:3     High thermoelectric figure of merit in nanocrystalline polyaniline at low temperatures
DOI:10.1063/1.4897146  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Nath, Chandrani;Kumar, Ashok;Kuo, Yung-Kang;Okram, Gunadhor Singh;
19:131:4     A Nano-Stripe Based Sensor for Temperature Measurement at the Submicrometer and Nano Scales
DOI:10.1002/smll.201303942  JN:SMALL  PY:2014
  TC:0  AU: Huo, Xiaoye;Liu, Haixiao;Liang, Yiran;Fu, Mengqi;Sun, Weiqiang;Chen, Qing;Xu, Shengyong;
19:131:5     Intrinsic thermoelectric power of group VB metals
DOI:10.1063/1.3698169  JN:AIP ADVANCES  PY:2012
  TC:2  AU: Okram, Gunadhor Singh;
19:131:6     Heat conduction in conducting polyaniline nanofibers
DOI:10.1063/1.4821656  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Nath, Chandrani;Kumar, A.;Syu, K. -Z.;Kuo, Y. -K.;
19:131:7     Size-dependent resistivity and thermopower of nanocrystalline copper
DOI:10.1063/1.3610791  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:8  AU: Okram, Gunadhor S.;Kaurav, Netram;
19:131:8     Response to "Comment on 'Unexpected size effect in the thermopower of thin-film stripes'" [J. Appl. Phys. 115, 236101 ( 2014)]
DOI:10.1063/1.4884736  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Huo, Xiaoye;Sun, Weiqiang;Liu, Haixiao;Peng, Lianmao;Xu, Shengyong;
19:131:9     Comment on "Unexpected size effect in the thermopower of thin-film stripes" [J. Appl. Phys. 110, 083709 (2011)]
DOI:10.1063/1.4884735  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Szakmany, Gergo P.;Orlov, Alexei O.;Bernstein, Gary H.;Porod, Wolfgang;
19:131:10     Effect of temperature and magnetic field on the electrical transport of polyaniline nanofibers
DOI:10.1063/1.4793588  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Nath, Chandrani;Kumar, A.;
19:132:1     Promising thermoelectric properties in AgxMo9Se11 compounds (3.4 <= x <= 3.9)
DOI:10.1063/1.3579261  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:14  AU: Zhou, Tong;Lenoir, Bertrand;Colin, Malika;Dauscher, Anne;Al Orabi, Rabih Al Rahal;Gougeon, Patrick;Potel, Michel;Guilmeau, Emmanuel;
19:132:2     Lattice strains in the layered Mn, Ni and Co oxides as cathode materials in Li and Na batteries
DOI:10.1016/j.ssi.2014.06.020  JN:SOLID STATE IONICS  PY:2014
  TC:1  AU: Levi, Elena;Aurbach, Doron;
19:132:3     Assessment of the thermoelectric performance of polycrystalline p-type SnSe
DOI:10.1063/1.4880817  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:3  AU: Sassi, S.;Candolfi, C.;Vaney, J. -B.;Ohorodniichuk, V.;Masschelein, P.;Dauscher, A.;Lenoir, B.;
19:132:4     Synthesis, Crystal and Electronic Structures, and Thermoelectric Properties of the Novel Cluster Compound Ag3In2Mo15Se19
DOI:10.1021/cm3009557  JN:CHEMISTRY OF MATERIALS  PY:2012
  TC:11  AU: Gougeon, Patrick;Gall, Philippe;Al Orabi, Rabih Al Rahal;Fontaine, Bruno;Gautier, Regis;Potel, Michel;Zhou, Tong;Lenoir, Bertrand;Colin, Malika;Candolfi, Christophe;Dauscher, Anne;
19:132:5     Comprehensive Study of the Low-Temperature Transport and Thermodynamic Properties of the Cluster Compounds AgxMo9Se11 (3.41 <= x <= 3.78)
DOI:10.1021/cm5016367  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:4  AU: Zhou, T.;Colin, M.;Candolfi, C.;Boulanger, C.;Dauscher, A.;Santava, E.;Hejtmanek, J.;Baranek, P.;Al Orabi, R. Al Rahal;Potel, M.;Fontaine, B.;Gougeon, P.;Gautier, R.;Lenoir, B.;
19:132:6     Crystal chemistry and valence determinations for Mn, Ni and Co oxides as cathode materials in Li batteries
DOI:10.1016/j.ssi.2014.01.024  JN:SOLID STATE IONICS  PY:2014
  TC:3  AU: Levi, Elena;Aurbach, Doron;
19:132:7     Chevrel Phases, MxMo6T8 (M = Metals, T = S, Se, Te) as a Structural Chameleon: Changes in the Rhombohedral Framework and Triclinic Distortion
DOI:10.1021/cm100422z  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:11  AU: Levi, Elena;Aurbach, Doron;
19:132:8     Optimization of Bulk Thermoelectrics: Influence of Cu Insertion in Ag3.6Mo9Se11
DOI:10.1007/s11664-012-1906-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:0  AU: Colin, Malika;Zhou, Tong;Lenoir, Bertrand;Dauscher, Anne;Al Orabi, Rabih Al Rahal;Gougeon, Patrick;Potel, Michel;Baranek, Philippe;Semprimoschnig, Christopher;
19:132:9     Lattice Strains in the Ligand Framework in the Octahedral Metal Cluster Compounds as the Origin of Their Instability
DOI:10.1021/cm103617e  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:7  AU: Levi, Elena;Aurbach, Doron;
19:132:10     Cage-Shaped Mo-9 Chalcogenides: Promising Thermoelectric Materials with Significantly Low Thermal Conductivity
DOI:10.1007/s11664-010-1413-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:2  AU: Zhou, Tong;Lenoir, Bertrand;Christophe, Candolfi;Dauscher, Anne;Gall, Philippe;Gougeon, Patrick;Potel, Michel;Guilmeau, Emmanuel;
19:133:1     Enhanced Thermoelectric Properties of Bi0.5Sb1.5Te3 Films by Chemical Vapor Transport Process
DOI:10.1021/am200203r  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2011
  TC:8  AU: Sun, Zhengliang;Liufu, Shengcong;Chen, Xihong;Chen, Lidong;
19:133:2     Microstructures and thermoelectric properties of p-type Bi (x) Sb2-x Te-3 thin films with various compositions
DOI:10.1007/s13391-013-3081-7  JN:ELECTRONIC MATERIALS LETTERS  PY:2013
  TC:1  AU: Song, Junqiang;Yao, Qin;Wu, Ting;Shi, Xun;Chen, Lidong;
19:133:3     Post-annealing Effect on Microstructures and Thermoelectric Properties of Bi0.45Sb1.55Te3 Thin Films Deposited by Co-sputtering
DOI:10.1007/s11664-012-2228-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Song, Junqiang;Chen, Xihong;Tang, Yunshan;Yao, Qin;Chen, Lidong;
19:133:4     A general strategy to bismuth chalcogenide films by chemical vapor transport
DOI:10.1039/c0jm03561k  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:10  AU: Sun, Zhengliang;Liufu, Shengcong;Liu, Riuheng;Chen, Xihong;Chen, Lidong;
19:133:5     Thermoelectric properties of electrically stressed Sb/Bi-Sb-Te multilayered films
DOI:10.1063/1.3326878  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:5  AU: Liao, Chien-Neng;Chang, Chih-Yu;Chu, Hsu-Shen;
19:133:6     Fabrication of Thermoelectric Devices by Applying Microsystems Technology
DOI:10.1007/s11664-010-1287-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:7  AU: Goncalves, L. M.;Alpuim, P.;Correia, J. H.;
19:133:7     Microgenerator Using BiSbTe-Pt Thermopile and Pt-Al2O3 Ceramic Combustor
DOI:10.1007/s11664-011-1581-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:4  AU: Shin, W.;Nakashima, T.;Nishibori, M.;Itoh, T.;Izu, N.;Matsubara, I.;Nakagawa, Y.;Yamamoto, A.;Obara, H.;
19:133:8     High rate dry etching of (BiSb)(2)Te-3 film by CH4/H-2-based plasma
DOI:10.1016/j.apsosc.2014.08.150  JN:APPLIED SURFACE SCIENCE  PY:2014
  TC:1  AU: Song, Junqiang;Shi, Xun;Chen, Lidong;
19:134:1     Lattice thermal conductivity in bulk and nanosheet NaxCoO2
DOI:10.1016/j.commatsci.2013.09.049  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2014
  TC:0  AU: Demchenko, D. O.;Ameen, D. B.;
19:134:2     Impact of Dynamic Interlayer Interactions on Thermal Conductivity of Ca3Co4O9
DOI:10.1007/s11664-013-2902-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Fujii, Susumu;Yoshiya, Masato;Yumura, Akuto;Miyauchi, Yohei;Tada, Masahiro;Yasuda, Hideyuki;
19:134:3     Interrelationship between Li+ diffusion, charge, and magnetism in (LiMn2O4)-Li-7 and (Li1.1Mn1.9O4)-Li-7 spinels: Elastic, inelastic, and quasielastic neutron scattering
DOI:10.1103/PhysRevB.83.094401  JN:PHYSICAL REVIEW B  PY:2011
  TC:1  AU: Kamazawa, Kazuya;Nozaki, Hiroshi;Harada, Masashi;Mukai, Kazuhiko;Ikedo, Yutaka;Iida, Kazuki;Sato, Taku J.;Qiu, Yiming;Tyagi, Madhusudan;Sugiyama, Jun;
19:134:4     Magnetic characteristics of a new cubic defect spinel Li0.5Mg0.5MnO3
DOI:10.1063/1.3670504  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:0  AU: Singh, V.;Seehra, M. S.;Manivannan, A.;Kumta, P. N.;
19:134:5     A First-Principles Study of the Role of Na Vacancies in the Thermoelectricity of Na (x) CoO2
DOI:10.1007/s11664-010-1237-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:5  AU: Yoshiya, Masato;Okabayashi, Takahiro;Tada, Masahiro;Fisher, Craig A. J.;
19:134:6     Magnetic analysis of lamellar oxides for Li-ions batteries
DOI:10.1016/j.ssi.2010.11.003  JN:SOLID STATE IONICS  PY:2011
  TC:10  AU: Zhang, X.;Julien, C. M.;Mauger, A.;Gendron, F.;
19:134:7     Magnetic properties of LixNiyMnyCo1-2yO2 (0.2 <= 1-2y <= 0.5, 0 <= x <= 1)
DOI:10.1016/j.jallcom.2011.12.055  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:10  AU: Mauger, A.;Gendron, F.;Julien, C. M.;
19:134:8     Effect of Ionic Radius and Resultant Two-Dimensionality of Phonons on Thermal Conductivity in M (x) CoO2 (M = Li, Na, K) by Perturbed Molecular Dynamics
DOI:10.1007/s11664-010-1309-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:3  AU: Tada, Masahiro;Yoshiya, Masato;Yasuda, Hideyuki;
19:134:9     Magnetic excitations in the spinel compound Li-x[Mn1.96Li0.04]O-4 (x=0.2, 0.6, 0.8, 1.0): How a classical system can mimic quantum critical scaling
DOI:10.1103/PhysRevB.81.014411  JN:PHYSICAL REVIEW B  PY:2010
  TC:2  AU: Heitmann, Thomas;Schmets, Alexander;Gaddy, John;Lamsal, Jagat;Petrovic, Marcus;Vojta, Thomas;Montfrooij, Wouter;
19:134:10     ac susceptibility of the quantum critical point mimicking series LixMn1.96Li0.04]O-4 (x=0.0,0.1,0.2,0.35,0.5,0.6,0.8,1.0)
DOI:10.1063/1.3367976  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:1  AU: Heitmann, T.;Gaddy, J.;Lamsal, J.;Petrovic, M.;Montfrooij, W.;
19:134:11     Dissociation of spin objects in geometrically frustrated CdFe2O4 (vol 70, 024418, 2004)
DOI:10.1103/PhysRevB.81.099906  JN:PHYSICAL REVIEW B  PY:2010
  TC:1  AU: Kamazawa, K.;Park, S.;Lee, S. -H.;Sato, T. J.;Tsunoda, Y.;
19:134:12     LiCo1-yByO2 As Cathode Materials for Rechargeable Lithium Batteries
DOI:10.1021/cm1026865  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:4  AU: Julien, C. M.;Mauger, A.;Groult, H.;Zhang, X.;Gendron, F.;
19:134:13     Nanostructured thermoelectric cobalt oxide by exfoliation/restacking route
DOI:10.1063/1.4768258  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Kim, Jong-Young;Kim, Jin-Il;Choi, Soon-Mok;Lim, Young Soo;Seo, Won-Seon;Hwang, Hae Jin;
19:134:14     A First-Principles Study of the Role of Na Vacancies in the Thermoelectricity of NaxCoO2 (vol 39, pg 1681, 2010)
DOI:10.1007/s11664-011-1628-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:0  AU: Yoshiya, Masato;Okabayashi, Takahiro;Tada, Masahiro;Fisher, Craig A. J.;
19:135:1     Room temperature picowatt-resolution calorimetry
DOI:10.1063/1.3617473  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:23  AU: Sadat, Seid;Chua, Yi Jie;Lee, Woochul;Ganjeh, Yashar;Kurabayashi, Katsuo;Meyhofer, Edgar;Reddy, Pramod;
19:135:2     Direct and quantitative broadband absorptance spectroscopy on small objects using Fourier transform infrared spectrometer and bilayer cantilever probes
DOI:10.1063/1.4790184  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Hsu, Wei-Chun;Tong, Jonathan K.;Liao, Bolin;Burg, Brian R.;Chen, Gang;
19:135:3     Sub-picowatt resolution calorimetry with a bi-material microcantilever sensor
DOI:10.1063/1.4795625  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:7  AU: Canetta, Carlo;Narayanaswamy, Arvind;
19:135:4     Thermal conduction in thin films measured by optical surface thermal lensing
DOI:10.1063/1.3490185  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:18  AU: Bourgoin, Jean-Philippe;Allogho, Guy-Germain;Hache, Alain;
19:135:5     Resistance thermometry-based picowatt-resolution heat-flow calorimeter
DOI:10.1063/1.4802239  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:4  AU: Sadat, S.;Meyhofer, E.;Reddy, P.;
19:135:6     Large infrared absorptance of bimaterial microcantilevers based on silicon high contrast grating
DOI:10.1063/1.4825313  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Kwon, Beomjin;Seong, Myunghoon;Liu, Jui-Nung;Rosenberger, Matthew R.;Schulmerich, Matthew V.;Bhargava, Rohit;Cunningham, Brian T.;King, William P.;
19:135:7     Nanoscale specific heat capacity measurements using optoelectronic bilayer microcantilevers
DOI:10.1063/1.4772477  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:2  AU: Burke, Brian G.;Lavan, David A.;Gates, Richard S.;Osborn, William A.;
19:135:8     Laser heating and detection of bilayer microcantilevers for non-contact thermodynamic measurements
DOI:10.1063/1.4776197  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Burke, Brian G.;LaVan, David A.;
19:136:1     Enhanced thermoelectric properties by Ir doping of PtSb2 with pyrite structure
DOI:10.1063/1.4729789  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:10  AU: Nishikubo, Yoshihiro;Nakano, Seiya;Kudo, Kazutaka;Nohara, Minoru;
19:136:2     Large Seebeck effect in electron-doped FeAs2 driven by a quasi-one-dimensional pudding-mold-type band
DOI:10.1103/PhysRevB.88.075140  JN:PHYSICAL REVIEW B  PY:2013
  TC:6  AU: Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Nakano, Seiya;Kudo, Kazutaka;Nohara, Minoru;
19:136:3     Thermoelectric performance of electron and hole doped PtSb2
DOI:10.1063/1.4803145  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:6  AU: Saeed, Y.;Singh, N.;Parker, D.;Schwingenschloegl, U.;
19:136:4     Corrugated flat band as an origin of large thermopower in hole doped PtSb2
DOI:10.1063/1.4759007  JN:AIP ADVANCES  PY:2012
  TC:8  AU: Mori, Kouta;Usui, Hidetomo;Sakakibara, Hirofumi;Kuroki, Kazuhiko;
19:136:5     Theoretical investigation on compressibility, electronic and thermodynamic properties of single crystal PtAs2 under high pressure
DOI:10.1016/j.commatsci.2014.01.048  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2014
  TC:3  AU: Yan, Haiyan;Zhang, Meiguang;
19:136:6     Enhancing high-temperature thermoelectric properties of PtAs2 by Rh doping
DOI:10.1063/1.4819953  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:3  AU: Kudo, Kazutaka;Nakano, Seiya;Mizukami, Tasuku;Takabatake, Toshiro;Nohara, Minoru;
19:136:7     Pudding-Mold-Type Band as an Origin of the Large Seebeck Coefficient Coexisting with Metallic Conductivity in Carrier-Doped FeAs2 and PtSe2
DOI:10.1007/s11664-013-2823-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Usui, Hidetomo;Kuroki, Kazuhiko;Nakano, Seiya;Kudo, Kazutaka;Nohara, Minoru;
19:137:1     Bottom-up assembly to Ag nanoparticles embedded Nb-doped TiO2 nanobulks with improved n-type thermoelectric properties
DOI:10.1039/c2jm31469j  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:6  AU: Liu, Chengyan;Miao, Lei;Zhou, Jianhua;Huang, Rong;Tanemura, Sakae;
19:137:2     Large Seebeck Coefficients of Protonated Titanate Nanotubes for High-Temperature Thermoelectric Conversion
DOI:10.1021/am100365y  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2010
  TC:18  AU: Miao, L.;Tanemura, S.;Huang, R.;Liu, C. Y.;Huang, C. M.;Xu, G.;
19:137:3     Titania Embedded with Nanostructured Sodium Titanate: Reduced Thermal Conductivity for Thermoelectric Application
DOI:10.1007/s11664-012-2384-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Liu, Chengyan;Miao, Lei;Zhou, Jianhua;Tanemura, Sakae;Hu, Dongli;Gu, Hui;
19:137:4     Significant improvement in the thermoelectric properties of zwitterionic polysquaraine composite films
DOI:10.1016/j.matchemphys.2013.06.024  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2013
  TC:1  AU: Ho, Mei-Chan;Chao, Ching-Hsun;Lo, An-Ya;Chen, Chun-Hua;Wu, Ren-Jye;Tsai, Mei-Hui;Huang, Yi-Chia;Whang, Wha-Tzong;
19:137:5     Thermoelectric Properties of Undoped and Doped (Ti0.75Sn0.25)O-2
DOI:10.1111/j.1551-2916.2011.04794.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2012
  TC:6  AU: Dynys, Frederick W.;Berger, Marie-Helene;Sehirlioglu, Alp;
19:138:1:1     Ellipsometric study of single-crystal gamma-InSe from 1.5 to 9.2 eV
DOI:10.1063/1.3420080  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:8  AU: Choi, S. G.;Aspnes, D. E.;Fuchser, A. L.;Martinez-Tomas, C.;Munoz Sanjose, V.;Levi, D. H.;
19:138:1:2     Optical properties of TlGaxIn1-xSe2-layered mixed crystals (0.5 <= x <= 1) by spectroscopic ellipsometry, transmission, and reflection
DOI:10.1080/14786435.2014.926038  JN:PHILOSOPHICAL MAGAZINE  PY:2014
  TC:2  AU: Isik, M.;Delice, S.;Gasanly, N. M.;
19:138:1:3     Interband critical points in TlGaxIn1-xS2 layered mixed crystals (0 <= x <= 1)
DOI:10.1016/j.jallcom.2013.07.134  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:2  AU: Isik, M.;Gasanly, N. M.;
19:138:1:4     Temperature dependence of dielectric function and optical transitions in TlInSe2 and TlGaTe2
DOI:10.1016/j.tsf.2010.11.077  JN:THIN SOLID FILMS  PY:2011
  TC:8  AU: Shim, YongGu;Aoh, Hitoshi;Sakamoto, Junichi;Wakita, Kazuki;Mamedov, Nazim;
19:138:1:5     Dielectric functions and interband critical points of anisotropic chain structured TlSe single crystals
DOI:10.1063/1.4761963  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:0  AU: Isik, M.;Gasanly, N. M.;
19:138:1:6     Optical constants and interband transitions of anisotropic layered structured Tl2GaInS4 crystals by spectroscopic ellipsometry
DOI:10.1016/j.jallcom.2012.09.103  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:1  AU: Isik, M.;Gasanly, N. M.;Turan, R.;
19:138:1:7     Dielectric function spectra and inter-band optical transitions in TlGaS2
DOI:10.1016/j.tsf.2014.02.100  JN:THIN SOLID FILMS  PY:2014
  TC:0  AU: Kawabata, Toshiyuki;Shim, YongGu;Wakita, Kazuki;Mamedov, Nazim;
19:138:2:1     Optical properties of TlGaxIn1-xS2 layered mixed crystals (0 <= x <= 1) I. Composition- and temperature-tuned energy band gap
DOI:10.1016/j.jallcom.2010.03.137  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:5  AU: Gasanly, N. M.;
19:138:2:2     Excitation intensity- and temperature-dependent photoluminescence in layered structured Tl2GaInSe2S2 crystals
DOI:10.1063/1.4792499  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Gasanly, N. M.;
19:138:2:3     Low-temperature photoluminescence in layered structured TlGa0.5In0.5Se2 crystals
DOI:10.1016/j.jallcom.2012.08.134  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:4  AU: Gasanly, N. M.;
19:138:3:1     Anisotropic properties and conduction mechanism of TlInSe2 chain semiconductor
DOI:10.1007/s00339-012-7455-8  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2013
  TC:0  AU: Ebnalwaled, A. A.;Al-Orainy, R. H.;
19:138:3:2     Synthesis and high-temperature thermoelectric properties of Ni3GaSb and Ni3InSb
DOI:10.1016/j.jallcom.2011.01.006  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:1  AU: Suriwong, Tawat;Kurosaki, Ken;Thongtem, Somchai;Harnwunggmoung, Adul;Sugahara, Tohru;Plirdpring, Theerayuth;Ohishi, Yuji;Muta, Hiroaki;Yamanaka, Shinsuke;
19:138:3:3     On the conduction mechanism of p-type GaSb bulk crystal
DOI:10.1016/j.mseb.2010.03.029  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2010
  TC:6  AU: Ebnalwaled, A. A.;
19:138:4:1     Trapping centers and their distribution in Tl2InGaSe4 single crystals by thermally stimulated luminescence
DOI:10.1007/s10853-013-7949-6  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:2  AU: Delice, S.;Isik, M.;Gasanly, N. M.;
19:138:4:2     Anomalous heating rate dependence of thermoluminescence in Tl2GaInS4 single crystals
DOI:10.1007/s10853-014-8537-0  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:0  AU: Delice, S.;Bulur, E.;Gasanly, N. M.;
19:139:1     Scanning thermal microscopy of individual silicon nanowires
DOI:10.1063/1.3524223  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:18  AU: Puyoo, Etienne;Grauby, Stephane;Rampnoux, Jean-Michel;Rouviere, Emmanuelle;Dilhaire, Stefan;
19:139:2     Fabrication of Bi2Te3 nanowire arrays and thermal conductivity measurement by 3 omega-scanning thermal microscopy
DOI:10.1063/1.4790363  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:5  AU: Munoz Rojo, M.;Grauby, S.;Rampnoux, J. -M.;Caballero-Calero, O.;Martin-Gonzalez, M.;Dilhaire, S.;
19:139:3     A microprobe technique for simultaneously measuring thermal conductivity and Seebeck coefficient of thin films
DOI:10.1063/1.3300826  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:23  AU: Zhang, Yanliang;Hapenciuc, Claudiu L.;Castillo, Eduardo E.;Borca-Tasciuc, Theodorian;Mehta, Rutvik J.;Karthik, Chinnathambi;Ramanath, Ganpati;
19:139:4     Heterodyne picosecond thermoreflectance applied to nanoscale thermal metrology
DOI:10.1063/1.3665129  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:15  AU: Dilhaire, S.;Pernot, G.;Calbris, G.;Rampnoux, J. M.;Grauby, S.;
19:139:5     Impacts of both high pressure and Te-Se double-substituted skutterudite on the thermoelectric properties prepared by HTHP
DOI:10.1016/j.jallcom.2014.07.173  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Sun, Hairui;Jia, Xiaopeng;Deng, Le;Lv, Pin;Guo, Xin;Sun, Bing;Zhang, Yuewen;Liu, Binwu;Ma, Hongan;
19:139:6     Anomalous Light Absorption around Subwavelength Apertures in Metal Films
DOI:10.1103/PhysRevLett.112.193903  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:0  AU: Lozan, O.;Perrin, M.;Ea-Kim, B.;Rampnoux, J. M.;Dilhaire, S.;Lalanne, P.;
19:139:7     Quantitative scanning thermal microscopy of ErAs/GaAs superlattice structures grown by molecular beam epitaxy
DOI:10.1063/1.4792757  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:1  AU: Park, K. W.;Nair, H. P.;Crook, A. M.;Bank, S. R.;Yu, E. T.;
19:139:8     Reduced thermal quadrupole heat transport modeling in harmonic and transient regime scanning thermal microscopy using nanofabricated thermal probes
DOI:10.1063/1.4891872  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Bodzenta, J.;Chirtoc, M.;Juszczyk, J.;
19:140:1     Enhancing the Thermoelectric Properties of Germanium Antimony Tellurides by Substitution with Selenium in Compounds GenSb2(Te1-xSex)(n+3) (0 <= x <= 0.5; n >= 7)
DOI:10.1021/cm404115k  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:12  AU: Rosenthal, Tobias;Urban, Philipp;Nimmrich, Kathleen;Schenk, Ludwig;de Boor, Johannes;Stiewe, Christian;Oeckler, Oliver;
19:140:2     Real Structure and Thermoelectric Properties of GeTe-Rich Germanium Antimony Tellurides
DOI:10.1021/cm201717z  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:36  AU: Rosenthal, Tobias;Schneider, Matthias N.;Stiewe, Christian;Doeblinger, Markus;Oeckler, Oliver;
19:140:3     Ioffe-Regel limit and lattice thermal conductivity reduction of high performance (AgSbTe2)(15)(GeTe)(85) thermoelectric materials
DOI:10.1039/c3ta15147f  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:9  AU: Zhu, Tiejun;Gao, Hongli;Chen, Yi;Zhao, Xinbing;
19:140:4     High-Performance (AgxSbTex/2+1.5)(15)(GeTe)(85) Thermoelectric Materials Prepared by Melt Spinning
DOI:10.1007/s11664-010-1202-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:6  AU: Chen, Y.;Zhu, T. J.;Yang, S. H.;Zhang, S. N.;Miao, W.;Zhao, X. B.;
19:140:5     Enhanced thermoelectric performance of In-substituted GeSb6Te10 with homologous structure
DOI:10.1063/1.4893236  JN:APL MATERIALS  PY:2014
  TC:1  AU: Kosuga, Atsuko;Nakai, Kazuki;Matsuzawa, Mie;Fujii, Yousuke;Funahashi, Ryoji;Tachizawa, Takuya;Kubota, Yoshiki;Kifune, Kouichi;
19:140:6     Influence of Doping on Structural and Thermoelectric Properties of AgSbSe2
DOI:10.1007/s11664-009-1008-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:8  AU: Wojciechowski, K.;Schmidt, M.;Tobola, J.;Koza, M.;Olech, A.;Zybala, R.;
19:140:7     Improved Thermoelectric Properties of (GeTe)(90)(AgySb2-yTe3-y)(10) by Tuning the Ag-to-Sb Ratio
DOI:10.1007/s11664-011-1618-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Yang, S. H.;Zhu, T. J.;Yu, C.;Shen, J. J.;Yin, Z. Z.;Zhao, X. B.;
19:141:1     Variable-range-hopping conduction and low thermal conductivity in chalcogenide spinel CuyFe4Sn12X32 (X = S, Se)
DOI:10.1063/1.3569624  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:6  AU: Suekuni, K.;Tsuruta, K.;Ariga, T.;Koyano, M.;
19:141:2     Total-scattering descriptions of local and cooperative distortions in the oxide spinel Mg1-xCuxCr2O4 with dilute Jahn-Teller ions
DOI:10.1103/PhysRevB.82.214107  JN:PHYSICAL REVIEW B  PY:2010
  TC:7  AU: Shoemaker, Daniel P.;Seshadri, Ram;
19:141:3     Local structure of CuxZn2-xTiO4 inverse spinel
DOI:10.1063/1.4893458  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Ruiz-Fuertes, J.;Bernert, T.;He, M.;Winkler, B.;Vinograd, V. L.;Milman, V.;
19:141:4     Structural and thermoelectric properties of Cu6Fe4Sn12Se32 single crystal
DOI:10.1016/j.jallcom.2013.02.032  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:3  AU: Suekuni, K.;Tsuruta, K.;Fukuoka, H.;Koyano, M.;
19:141:5     Ferromagnetic spinel CuCr2Se4 studied by Raman spectroscopy and lattice dynamics calculations
DOI:10.1103/PhysRevB.81.224302  JN:PHYSICAL REVIEW B  PY:2010
  TC:5  AU: Ivanov, V. G.;Iliev, M. N.;Wang, Y-H. A.;Gupta, A.;
19:141:6     Thermoelectric Properties of Selenospinel Cu6Fe4Sn12Se32
DOI:10.1007/s11664-011-1842-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Suekuni, Koichiro;Kunii, Masaru;Nishiate, Hirotaka;Ohta, Michihiro;Yamamoto, Atsushi;Koyano, Mikio;
19:141:7     Raman scattering investigation of MnxFe1-xIn2S4 solid solutions
DOI:10.1016/j.matchemphys.2012.07.061  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2012
  TC:1  AU: Guc, M.;Ursaki, V. V.;Bodnar, I. V.;Lozhkin, D. V.;Arushanov, E.;Izquierdo-Roca, V.;Perez Rodriguez, A.;
19:141:8     RF and microwave dielectric properties of (Zn0.95M0.05)(2)TiO4 (M = Mn2+, Co2+, Ni2+ or Cu2+) ceramics
DOI:10.1016/j.mseb.2009.11.007  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2010
  TC:4  AU: Butee, Sandeep;Kulkarni, Ajit R.;Prakash, Om;Aiyar, R. P. R. C.;Sudheendran, K.;James, K. C. Raju;
19:141:9     Photoluminescence spectra of MnIn2S4
DOI:10.1016/j.optmat.2011.12.008  JN:OPTICAL MATERIALS  PY:2012
  TC:1  AU: Guk, M.;Merschjann, C.;Bodnar, I.;Tyborski, T.;Schedel-Niedrig, T.;Lux-Steiner, M.;Arushanov, E.;
19:142:1     Enhanced thermoelectric properties of (Bi0.5Sb1.5Te3)(1-x-y)(PbTe)(x)(Zn4Sb3)(y) by combinatorial screening
DOI:10.1016/j.jallcom.2013.11.139  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Tseng, Shih Chun;Chao, Wen Hsuan;Yang, Ping Hsing;Chu, Hsu Shen;Hwang, Jenn Dong;Wu, Ren Jye;
19:142:2     Thermoelectric properties of p-type Pb-doped Bi85Sb15-xPbx alloys at cryogenic temperatures
DOI:10.1016/j.jallcom.2011.08.076  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:5  AU: Chen, Z.;Zhou, M.;Huang, R. J.;Song, C. M.;Zhou, Y.;Li, L. F.;
19:142:3     Novel thermoelectric materials based on boron-doped silicon microchannel plates
DOI:10.1016/j.matlet.2011.03.022  JN:MATERIALS LETTERS  PY:2011
  TC:5  AU: Ci, Pengliang;Shi, Jing;Wang, Fei;Xu, Shaohui;Yang, Zhenya;Yang, Pingxiong;Wang, Lianwei;Chu, Paul K.;
19:142:4     Thermoelectric Performance of -Type (Bi85Sb15)(1-) Sn Materials Prepared by a Pressureless Sintering Technique
DOI:10.1007/s11664-012-2063-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Chen, Zhen;Zhou, Min;Huang, Rongjin;Huang, Chuanjun;Song, Chunmei;Zhou, Yuan;Li, Laifeng;
19:142:5     Improved Thermoelectric Properties of p-Type Bismuth Antimony-Based Alloys Prepared by Spark Plasma Sintering
DOI:10.1007/s11664-014-3055-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Chen, Z.;Han, Y. M.;Zhou, M.;Song, C. M.;Huang, R. J.;Zhou, Y.;Li, L. F.;
19:142:6     La1-xSrxCuO3-delta ceramics as new thermoelectric material for low temperature applications
DOI:10.1016/j.matlet.2010.09.034  JN:MATERIALS LETTERS  PY:2011
  TC:5  AU: Rodriguez, J. E.;Moreno, L. C.;
19:142:7     Thermoelectric effect of silicon nanofibers capped with Bi-Te nanoparticles
DOI:10.1016/j.matlet.2013.08.065  JN:MATERIALS LETTERS  PY:2013
  TC:1  AU: Gan, Yong X.;Koludrovich, Michael J.;Zhang, Lihua;
19:143:1     Thermal diffusivity of electrical insulators at high temperatures: Evidence for diffusion of bulk phonon-polaritons at infrared frequencies augmenting phonon heat conduction
DOI:10.1063/1.4873295  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:2  AU: Hofmeister, Anne M.;Dong, Jianjun;Branlund, Joy M.;
19:143:2     Molecular dynamics simulation of thermodynamic and thermal transport properties of strontium titanate with improved potential parameters
DOI:10.1016/j.commatsci.2012.03.027  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2012
  TC:5  AU: Goh, Wen Fong;Yoon, Tiem Leong;Khan, Sohail Aziz;
19:143:3     Thermal diffusivity of oxide perovskite compounds at elevated temperature
DOI:10.1063/1.3371815  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:14  AU: Hofmeister, Anne M.;
19:143:4     Lattice thermal conductivity of ultra high temperature ceramics ZrB2 and HfB2 from atomistic simulations
DOI:10.1063/1.3647754  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:4  AU: Lawson, John W.;Daw, Murray S.;Bauschlicher, Charles W., Jr.;
19:143:5     Interatomic potentials for Zirconium Diboride and Hafnium Diboride
DOI:10.1016/j.commatsci.2011.04.038  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2011
  TC:3  AU: Daw, Murray S.;Lawson, John W.;Bauschlicher, Charles W., Jr.;
19:143:6     Ab Initio Computations of Electronic, Mechanical, and Thermal Properties of ZrB2 and HfB2
DOI:10.1111/j.1551-2916.2011.04649.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2011
  TC:12  AU: Lawson, John W.;Bauschlicher, Charles W., Jr.;Daw, Murray S.;
19:143:7     Computational Modeling of Grain Boundaries in ZrB2: Implications for Lattice Thermal Conductivity
DOI:10.1111/jace.12037  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2012
  TC:1  AU: Lawson, John W.;Daw, Murray S.;Squire, Thomas H.;Bauschlicher, Charles W., Jr.;
19:143:8     Thermal diffusivity of alkali and silver halide crystals as a function of temperature
DOI:10.1063/1.3544444  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:8  AU: Yu, Xueyang;Hofmeister, Anne M.;
19:143:9     Structural properties of Ce-doped strontium titanate for fuel cell applications
DOI:10.1039/c0jm03680c  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2011
  TC:6  AU: Cumming, Denis J.;Kilner, John A.;Skinner, Stephen;
19:143:10     Effects of hydration, annealing, and melting on heat transport properties of fused quartz and fused silica from laser-flash analysis
DOI:10.1016/j.jnoncrysol.2012.02.012  JN:JOURNAL OF NON-CRYSTALLINE SOLIDS  PY:2012
  TC:6  AU: Hofmeister, Anne M.;Whittington, Alan G.;
19:144:1     Phonon coherence in isotopic silicon superlattices
DOI:10.1063/1.4897002  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Frieling, R.;Radek, M.;Eon, S.;Bracht, H.;Wolf, D. E.;
19:144:2     Ultrafast time resolved x-ray diffraction, extended x-ray absorption fine structure and x-ray absorption near edge structure
DOI:10.1063/1.4738372  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:9  AU: Er, Ali Oguz;Chen, Jie;Rentzepis, Peter M.;
19:144:3     Ultrafast Structural Dynamics of the Photocleavage of Protein Hybrid Nanoparticles
DOI:10.1021/nn200120e  JN:ACS NANO  PY:2011
  TC:22  AU: Ibrahimkutty, Shyjumon;Kim, Jangbae;Cammarata, Marco;Ewald, Friederike;Choi, Jungkweon;Ihee, Hyotcherl;Plech, Anton;
19:144:4     Reduced thermal conductivity of isotopically modulated silicon multilayer structures
DOI:10.1063/1.4742922  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:8  AU: Bracht, H.;Wehmeier, N.;Eon, S.;Plech, A.;Issenmann, D.;Hansen, J. Lundsgaard;Larsen, A. Nylandsted;Ager, J. W., III;Haller, E. E.;
19:144:5     Full-field transmission x-ray imaging with confocal polycapillary x-ray optics
DOI:10.1063/1.4789799  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:11  AU: Sun, Tianxi;MacDonald, C. A.;
19:144:6     Temperature dependence of ion-beam mixing in crystalline and amorphous germanium isotope multilayer structures
DOI:10.1063/1.4861174  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Radek, M.;Bracht, H.;Posselt, M.;Liedke, B.;Schmidt, B.;Bougeard, D.;
19:144:7     Ion-beam mixing in crystalline and amorphous germanium isotope multilayers
DOI:10.1063/1.3658259  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:2  AU: Bracht, H.;Radek, M.;Kube, R.;Knebel, S.;Posselt, M.;Schmidt, B.;Haller, E. E.;Bougeard, D.;
19:144:8     Isotopic Superlattices for Perfect Phonon Reflection
DOI:10.1007/s11664-010-1160-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:3  AU: Bastian, G.;Vogelsang, A.;Schiffmann, C.;
19:144:9     Determination of nanoscale heat conductivity by time-resolved X-ray scattering
DOI:10.1016/j.tsf.2012.10.132  JN:THIN SOLID FILMS  PY:2013
  TC:2  AU: Issenmann, Daniel;Wehmeier, Nadine;Eon, Soizic;Bracht, Hartmut;Buth, Gernot;Ibrahimkutty, Shyjumon;Plech, Anton;
19:144:10     X-ray microlaminography with polycapillary optics
DOI:10.1063/1.4809583  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Dabrowski, K. M.;Dul, D. T.;Wrobel, A.;Korecki, P.;
19:144:11     Analysis of powder X-ray diffraction resolution using collimating and focusing polycapillary optics
DOI:10.1016/j.tsf.2010.02.033  JN:THIN SOLID FILMS  PY:2010
  TC:4  AU: Zhou, Wei;Mahato, Dip N.;MacDonald, C. A.;
19:145:1     Fabrication and Evaluation of a Skutterudite-Based Thermoelectric Module for High-Temperature Applications
DOI:10.1007/s11664-012-2241-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Garcia-Canadas, Jorge;Powell, Anthony V.;Kaltzoglou, Andreas;Vaqueiro, Paz;Min, Gao;
19:145:2     High-temperature oxide thermoelectrics
DOI:10.1063/1.3626459  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:13  AU: Terasaki, Ichiro;
19:145:3     Monolithic oxide-metal composite thermoelectric generators for energy harvesting
DOI:10.1063/1.3599890  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:3  AU: Funahashi, Shuichi;Nakamura, Takanori;Kageyama, Keisuke;Ieki, Hideharu;
19:145:4     Characteristics of a Pin-Fin Structure Thermoelectric Uni-Leg Device Using a Commercial n-Type Mg2Si Source
DOI:10.1007/s11664-010-1277-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:10  AU: Nemoto, Takashi;Iida, Tsutomu;Sato, Junichi;Oguni, Yohei;Matsumoto, Atsunobu;Miyata, Takahiro;Sakamoto, Tatsuya;Nakajima, Tadao;Taguchi, Hirohisa;Nishio, Keishi;Takanashi, Yoshifumi;
19:145:5     Improvement of Electrical Contact Between TE Material and Ni Electrode Interfaces by Application of a Buffer Layer
DOI:10.1007/s11664-012-2036-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Arai, Koya;Matsubara, Masanori;Sawada, Yukie;Sakamoto, Tatsuya;Kineri, Tohru;Kogo, Yasuo;Iida, Tsutomu;Nishio, Keishi;
19:145:6     Thermoelectric Properties and Scattering Factors of Finely Grained Bi2Te3-Related Materials Prepared by Mechanical Alloying
DOI:10.2320/matertrans.MH200901  JN:MATERIALS TRANSACTIONS  PY:2010
  TC:3  AU: Hasezaki, Kazuhiro;Hamachiyo, Takashi;Ashida, Maki;Ueda, Takashi;Noda, Yasutoshi;
19:145:7     Thermoelectric module made of perovskite cobalt oxides with large thermopower
DOI:10.1063/1.3671070  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:4  AU: Inagoya, Akiko;Sawaki, Daisuke;Horiuchi, Yuto;Urata, Saori;Funahashi, Ryoji;Terasaki, Ichiro;
19:145:8     Development of a Thermal Buffering Device to Cope with Temperature Fluctuations for a Thermoelectric Power Generator
DOI:10.1007/s11664-012-1911-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:0  AU: Mizuno, Kuniaki;Sawada, Kazunori;Nemoto, Takashi;Iida, Tsutomu;
19:145:9     Effects of Low Rotational Speed on Crystal Orientation of Bi2Te3-Based Thermoelectric Semiconductors Deformed by High-Pressure Torsion
DOI:10.2320/matertrans.ME201101  JN:MATERIALS TRANSACTIONS  PY:2012
  TC:0  AU: Ashida, Maki;Sumida, Natsuki;Hasezaki, Kazuhiro;Matsunoshita, Hirotaka;Horita, Zenji;
19:146:1     Lattice dynamics in the thermoelectric Zintl compound Yb14MnSb11
DOI:10.1103/PhysRevB.84.184303  JN:PHYSICAL REVIEW B  PY:2011
  TC:4  AU: Moechel, A.;Sergueev, I.;Wille, H-C.;Juranyi, F.;Schober, H.;Schweika, W.;Brown, S. R.;Kauzlarich, S. M.;Hermann, R. P.;
19:146:2     Multi-temperature Synchrotron Powder X-ray Diffraction Study and Hirshfeld Surface Analysis of Chemical Bonding in the Thermoelectric Zintl Phase Yb14MnSb11
DOI:10.1021/cm201330x  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:9  AU: Kastbjerg, Sofie;Uvarov, Catherine A.;Kauzlarich, Susan M.;Nishibori, Eiji;Spackman, Mark A.;Iversen, Bo Brummerstedt;
19:146:3     Magnetic and transport properties of Te doped Yb14MnSb11
DOI:10.1039/c2jm32089d  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2012
  TC:7  AU: Yi, Tanghong;Abdusalyamova, M. N.;Makhmudov, F.;Kauzlarich, Susan M.;
19:146:4     Effect of Ca Doping on the Thermoelectric Performance of Yb14MnSb11
DOI:10.1007/s11664-010-1149-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:11  AU: Cox, Catherine A.;Brown, Shawna R.;Snyder, G. Jeffrey;Kauzlarich, Susan M.;
19:146:5     Rate of Sublimation of Yb14MnSb11, a Thermoelectric Material for Space Power Applications
DOI:10.1007/s11664-014-3261-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Nesbitt, James A.;
19:146:6     Multitemperature synchrotron powder diffraction and thermoelectric properties of the skutterudite La0.1Co4Sb12
DOI:10.1063/1.3428435  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:7  AU: Mi, Jian-Li;Christensen, Mogens;Nishibori, Eiji;Kuznetsov, Vladimir;Rowe, David Micheal;Iversen, Bo Brummerstedt;
19:146:7     In Situ Growth of a Yb2O3 Layer for Sublimation Suppression for Yb14MnSb11 Thermoelectric Material for Space Power Applications
DOI:10.1007/s11664-011-1875-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Nesbitt, James A.;Opila, Elizabeth J.;Nathal, Michael V.;
19:147:1     Stress-Strain Analysis in TiN Nanocoating Deposited on Polymer with respect to Au Nanointerlayer
DOI:10.1155/2014/813587  JN:JOURNAL OF NANOMATERIALS  PY:2014
  TC:0  AU: Kopernik, Magdalena;Milenin, Andrzej;Kac, Slawomir;Wrobel, Miroslaw;
19:147:2     Equi-penetration grazing incidence X-ray diffraction method: Stress depth profiling of ground silicon nitride
DOI:10.1016/j.actamat.2014.06.015  JN:ACTA MATERIALIA  PY:2014
  TC:1  AU: Angerer, Paul;Strobl, Stefan;
19:147:3     Simulation of Mechanical Properties of Bio-Inspired TiO2/PE Nanocomposites
DOI:10.1002/adem.201200386  JN:ADVANCED ENGINEERING MATERIALS  PY:2013
  TC:2  AU: Lasko, Galina;Burghard, Zaklina;Bill, Joachim;Schaefer, Immanuel;Weber, Ulrich;Schmauder, Siegfried;
19:147:4     Application of multireflection grazing incidence method for stress measurements in polished Al-Mg alloy and CrN coating
DOI:10.1016/j.apsusc.2012.12.005  JN:APPLIED SURFACE SCIENCE  PY:2013
  TC:8  AU: Marciszko, M.;Baczmanski, A.;Wierzbanowski, K.;Wrobel, M.;Braham, C.;Chopart, J. -P.;Lodini, A.;Bonarski, J.;Tarkowski, L.;Zazi, N.;
19:147:5     Mechanical response of nanometer thick self-assembled monolayers on metallic substrates using classical nanoindentation
DOI:10.1063/1.3663363  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:2  AU: Costelle, Leila;Jalkanen, Pasi;Raisanen, Minna T.;Lind, Liina;Nowak, Roman;Raisanen, Jyrki;
19:147:6     X-ray diffraction characterization of electrodeposited Ni-Al composite coatings prepared at different current densities
DOI:10.1016/j.jallcom.2014.03.063  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Cai, Fei;Jiang, Chuanhai;Wu, Xueyan;
19:147:7     Conventional Nanoindentation in Self-Assembled Monolayers Deposited on Gold and Silver Substrates
DOI:10.1155/2012/585123  JN:JOURNAL OF NANOMATERIALS  PY:2012
  TC:0  AU: Costelle, Leila;Lind, Liina;Jalkanen, Pasi;Raisanen, Minna T.;Nowak, Roman;Raisanen, Jyrki;
19:147:8     TiO2 films prepared using plasma ion assisted deposition for photocatalytic application
DOI:10.1016/j.materresbull.2014.09.022  JN:MATERIALS RESEARCH BULLETIN  PY:2014
  TC:1  AU: Zhao, C.;Child, D.;Gibson, D.;Placido, E.;Fu, Richard Y. Q.;
19:147:9     Evaluation of incipient plasticity from interfaces between ultra-thin gold films and compliant substrates
DOI:10.1016/j.tsf.2010.04.069  JN:THIN SOLID FILMS  PY:2010
  TC:4  AU: Hirakata, Hiroyuki;Ogiwara, Hiroki;Yonezu, Akio;Minoshima, Kohji;
19:147:10     Multireflection grazing incidence diffraction used for stress measurements in surface layers
DOI:10.1016/j.tsf.2012.05.042  JN:THIN SOLID FILMS  PY:2013
  TC:7  AU: Marciszko, M.;Baczmanski, A.;Wrobel, M.;Seiler, W.;Braham, C.;Donges, J.;Sniechowski, M.;Wierzbanowski, K.;
19:147:11     A hybrid multiscale computational framework of crystal plasticity at submicron scales
DOI:10.1016/j.commatsci.2010.06.010  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2010
  TC:14  AU: Gao, Y.;Liu, Z. L.;You, X. C.;Zhuang, Z.;
19:147:12     Self-assembling (nano-)wrinkling topography formation in low-temperature vacuum deposition on soft polymer surfaces
DOI:10.1016/j.tsf.2011.10.149  JN:THIN SOLID FILMS  PY:2012
  TC:9  AU: Lackner, J. M.;Waldhauser, W.;Hartmann, P.;Miskovics, O.;Schmied, F.;Teichert, C.;Schoeberl, T.;
19:148:1     Simulations for the Development of Thermoelectric Measurements
DOI:10.1007/s11664-013-2579-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Zabrocki, Knud;Ziolkowski, Pawel;Dasgupta, Titas;De Boor, Johannes;Mueller, Eckhard;
19:148:2     Module Geometry and Contact Resistance of Thermoelectric Generators Analyzed by Multiphysics Simulation
DOI:10.1007/s11664-010-1331-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:17  AU: Ebling, D.;Bartholome, K.;Bartel, M.;Jaegle, M.;
19:148:3     Estimation of Thermoelectric Generator Performance by Finite Element Modeling
DOI:10.1007/s11664-009-1048-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:17  AU: Ziolkowski, P.;Poinas, P.;Leszczynski, J.;Karpinski, G.;Mueller, E.;
19:148:4     Thermoelectric Coolers with Sintered Silver Interconnects
DOI:10.1007/s11664-014-3078-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:4  AU: Kaehler, Julian;Stranz, Andrej;Waag, Andreas;Peiner, Erwin;
19:148:5     Performance optimization of a thermoelectric generator element with linear, spatial material profiles in a one-dimensional setup
DOI:10.1557/jmr.2011.91  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:5  AU: Zabrocki, Knud;Mueller, Eckhard;Seifert, Wolfgang;Trimper, Steffen;
19:148:6     Analysis of Annular Thermoelectric Couples with Nonuniform Temperature Distribution by Means of 3-D Multiphysics Simulation
DOI:10.1007/s11664-012-2360-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Bauknecht, Andreas;Steinert, Torsten;Spengler, Carsten;Suck, Gerrit;
19:148:7     Robust Finite Element Model for the Design of Thermoelectric Modules
DOI:10.1007/s11664-010-1077-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:12  AU: Sandoz-Rosado, Emil;Stevens, Robert;
19:148:8     Thermoelectric Coolers with Sintered Silver Interconnects (vol 43, pg 2397, 2014)
DOI:10.1007/s11664-014-3388-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Kaehler, Julian;Stranz, Andrej;Waag, Andreas;Peiner, Erwin;
19:148:9     Analysis of Thermoelectric Generator Performance by Use of Simulations and Experiments
DOI:10.1007/s11664-014-3020-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:2  AU: Hogblom, Olle;Andersson, Ronnie;
19:148:10     A Comparison Between Numerical and Simplified Thermoelectric Cooler Models
DOI:10.1007/s11664-010-1075-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:10  AU: McCarty, Robin;
19:148:11     Numerical Modeling and Design of Thermoelectric Cooling Systems and Its Application to Manufacturing Machines
DOI:10.1007/s11664-013-2644-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Gallo, A.;Arana, A.;Oyanguren, A.;Garcia, G.;Barbero, A.;Larranaga, J.;Ulacia, I.;
19:148:12     Practical Contact Resistance Measurement Method for Bulk Bi2Te3-Based Thermoelectric Devices
DOI:10.1007/s11664-013-2806-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:6  AU: Gupta, Rahul P.;McCarty, Robin;Sharp, Jeff;
19:149:1     Optimization of Thermoelectric Properties of Metal- Oxide- Based Polymer Composites
DOI:10.1002/app.40038  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2014
  TC:0  AU: Plochmann, Bastian;Lang, Steffen;Ruger, Reinhold;Moos, Ralf;
19:149:2     Discontinuity of physical properties of carbon nanotube/polymer composites at the percolation threshold
DOI:10.1016/j.jnoncrysol.2014.03.022  JN:JOURNAL OF NON-CRYSTALLINE SOLIDS  PY:2014
  TC:0  AU: Carponcin, Delphine;Dantras, Eric;Dandurand, Jany;Aridon, Gwenaelle;Levallois, Franck;Cadiergues, Laurent;Lacabanne, Colette;
19:149:3     AC and DC behavior of finger-sensing metal/polymer composites at various pressures
DOI:10.1016/j.compscitech.2014.04.013  JN:COMPOSITES SCIENCE AND TECHNOLOGY  PY:2014
  TC:0  AU: Shang, Shuying;Song, Guilin;Chu, Xiangyu;Zhang, Linna;Chang, Fanggao;
19:149:4     Critical electrical behaviors of finger-sensing metal/polymer composites near the percolation threshold
DOI:10.1063/1.4767333  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:2  AU: Shang, Shuying;Zhou, Xiaohui;Chang, Fanggao;Guo, Caixia;
19:149:5     Electrical and thermomechanical properties of segregated nanocomposites based on PVC and multiwalled carbon nanotubes
DOI:10.1016/j.jnoncrysol.2009.09.038  JN:JOURNAL OF NON-CRYSTALLINE SOLIDS  PY:2010
  TC:19  AU: Mamunya, Ye. P.;Levchenko, V. V.;Rybak, A.;Boiteux, G.;Lebedev, E. V.;Ulanski, J.;Seytre, G.;
19:149:6     Effect of varying the ratio of matrix/dispersoid particle size on the piezoresistivity of alumina/carbon-black composite ceramics
DOI:10.1016/j.matlet.2011.04.042  JN:MATERIALS LETTERS  PY:2011
  TC:4  AU: Kishimoto, Akira;Takagawa, Yuto;Teranishi, Takashi;Hayashi, Hidetaka;
19:149:7     Flexible and strong ternary blends of poly(vinyl chloride), poly(butylene adipate) and nanoparticle-plasticizers
DOI:10.1016/j.matchemphys.2013.02.023  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2013
  TC:0  AU: Yin, Bo;Hakkarainen, Minna;
19:149:8     Computational measurement of void percolation thresholds of oblate particles and thin plate composites
DOI:10.1063/1.4730333  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:5  AU: Yi, Y. B.;Esmail, K.;
19:150:1     Thermoelectric Characteristics of the p-type (Bi0.2Sb0.8)(2)Te-3 Nanocomposites Processed with SbTe Nanowire Dispersion
DOI:10.1007/s13391-012-1099-x  JN:ELECTRONIC MATERIALS LETTERS  PY:2012
  TC:18  AU: Kim, Min-Young;Yu, Byung-Kyu;Oh, Tae-Sung;
19:150:2     A study of electrodes for thermoelectric oxides
DOI:10.1007/s13391-013-0025-1  JN:ELECTRONIC MATERIALS LETTERS  PY:2013
  TC:1  AU: Lim, Chang-Hyun;Choi, Soon-Mok;Seo, Won-Seon;Lee, Myung-Hyun;Lee, Kyu Hyoung;Park, Hyung-Ho;
19:150:3     Thermoelectric properties of a doped LaNiO3 perovskite system prepared using a spark-plasma sintering process
DOI:10.1007/s13391-013-0034-0  JN:ELECTRONIC MATERIALS LETTERS  PY:2013
  TC:2  AU: Tak, Jang-Yeul;Choi, Soon-Mok;Seo, Won-Seon;Cho, Hyung Koun;
19:150:4     A Resistance Ratio Analysis for CoSb3-Based Thermoelectric Unicouples
DOI:10.1007/s11664-011-1871-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:11  AU: Choi, Soon-Mok;Kim, Kyoung-Hun;Jeong, Seong-Min;Choi, Hyoung-Seuk;Lim, Young Soo;Seo, Won-Seon;Kim, Il-Ho;
19:150:5     Thermoelectric Properties of Co4-xMnxSb12-ySny Skutterudites
DOI:10.1007/s13391-011-0306-5  JN:ELECTRONIC MATERIALS LETTERS  PY:2011
  TC:11  AU: Park, Kwan-Ho;Kim, Il-Ho;
19:150:6     Thermoelectric Properties of P-Type Bismuth Telluride Powders Synthesized by a Mechano-Chemical Process
DOI:10.3365/eml.2010.12.177  JN:ELECTRONIC MATERIALS LETTERS  PY:2010
  TC:4  AU: Kim, Kyung Tae;Kim, Kyong Ju;Ha, Gook Hyun;
19:151:1     Microstructure and thermoelectric properties of beta-FeSi2 ceramics fabricated by hot-pressing and spark plasma sintering
DOI:10.1016/j.jallcom.2011.08.070  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:1  AU: Qu, Xiurong;Lu, Shuchen;Hu, Jianmin;Meng, Qingyu;
19:151:2     Synthesis and thermoelectric properties of the PbSe1-xTex alloys
DOI:10.1016/j.jallcom.2011.01.033  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:6  AU: Li, J. Q.;Li, S. P.;Wang, Q. B.;Wang, L.;Liu, F. S.;Ao, W. Q.;
19:151:3     Synthesis and thermoelectric properties of Bi2O2Se nanosheets
DOI:10.1016/j.materresbull.2013.06.013  JN:MATERIALS RESEARCH BULLETIN  PY:2013
  TC:5  AU: Zhang, Kaiyou;Hu, Chenguo;Kang, Xueliang;Wang, Shuxia;Xi, Yi;Liu, Hong;
19:151:4     Antioxidation and thermoelectric properties of ZnO nanoparticles-coated beta-FeSi2
DOI:10.1016/j.matchemphys.2011.04.022  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2011
  TC:5  AU: Qu, Xiurong;Wang, Wen;Liu, Wei;Yang, Zhihua;Duan, Xiaoming;Jia, Dechang;
19:151:5     Thermoelectric properties of Bi2O2Se
DOI:10.1016/j.matchemphys.2009.08.067  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2010
  TC:14  AU: Ruleova, P.;Drasar, C.;Lostak, P.;Li, C. -P.;Ballikaya, S.;Uher, C.;
19:151:6     Preparation and Transport Properties of Bi2O2Se Single Crystals
DOI:10.1007/s11664-012-2143-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Drasar, C.;Ruleova, P.;Benes, L.;Lostak, P.;
19:151:7     Oriented Bi2Se3 nanoribbons film: Structure, growth, and photoelectric properties
DOI:10.1016/j.matchemphys.2010.08.012  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2010
  TC:4  AU: Yu, Yuan;Sun, Wen-Tao;Hu, Zhu-Dong;Chen, Qing;Peng, Lian-Mao;
19:151:8     Thermoelectric properties of Re6GaxSeyTe15-y (0 <= x <= 2; 0 <= y <= 7.5)
DOI:10.1016/j.matchemphys.2009.08.061  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2010
  TC:4  AU: Dalafave, D. S.;
19:152:1     Synthesis, Structure Transformation, and Electrochemical Properties of Li2MgSi as a Novel Anode for Li-Ion Batteries
DOI:10.1002/adfm.201304287  JN:ADVANCED FUNCTIONAL MATERIALS  PY:2014
  TC:10  AU: Liu, Yongfeng;Ma, Ruijun;He, Yanping;Gao, Mingxia;Pan, Hongge;
19:152:2     Energetic consideration of the conduction type of Mg2Si doped with Cu, Ag, or Au using first-principle calculations
DOI:10.1016/j.jallcom.2012.09.026  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:6  AU: Imai, Yoji;Mori, Yoshihisa;Nakamura, Shigeyuki;Takarabe, Ken-ichiro;
19:152:3     Structural, electronic, and hydriding properties of Li2MgSi
DOI:10.1016/j.jallcom.2009.12.032  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:8  AU: Herbst, J. F.;Meyer, M. S.;
19:152:4     Energetics of compounds related to Mg2Si as an anode material for lithium-ion batteries using first principle calculations
DOI:10.1016/j.jallcom.2011.04.124  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:7  AU: Imai, Yoji;Watanabe, Akio;
19:152:5     Energetic prediction of Mg2Si-Ca2Si pseudobinary system using first-principles calculations
DOI:10.1016/j.jallcom.2012.12.083  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:5  AU: Imai, Yoji;Mori, Yoshihisa;Nakamura, Shigeyuki;Takarabe, Ken-ichi;
19:152:6     Energetic prediction on the stability of A(2)Mg(12)Si(7), A(2)Mg(4)Si(3), and AMgSi in the A(2)Si-Mg2Si system (A = Ca, Sr and Ba) and their calculated electronic structures
DOI:10.1016/j.jallcom.2013.12.015  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Imai, Yoji;Mori, Yoshihisa;Nakamura, Shigeyuki;Takarabe, Ken-ichi;
19:152:7     Synthesis of Li2MgIr and LiMgIrH6: Guidance from DFT
DOI:10.1016/j.jallcom.2010.10.216  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:0  AU: Salvador, J. R.;Herbst, J. F.;Meyer, M. S.;
19:152:8     Synthesis and hydriding behavior of Li2MgPt
DOI:10.1016/j.jallcom.2010.11.180  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:0  AU: Salvador, J. R.;Herbst, J. F.;Meyer, M. S.;
19:153:1     Thermal conductivity of mesoporous films measured by Raman spectroscopy
DOI:10.1063/1.4873539  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:2  AU: Stoib, B.;Filser, S.;Petermann, N.;Wiggers, H.;Stutzmann, M.;Brandt, M. S.;
19:153:2     Artificially nanostructured n-type SiGe bulk thermoelectrics through plasma enhanced growth of alloy nanoparticles from the gas phase
DOI:10.1557/jmr.2011.117  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:13  AU: Stein, N.;Petermann, N.;Theissmann, R.;Schierning, G.;Schmechel, R.;Wiggers, H.;
19:153:3     Laser-sintered thin films of doped SiGe nanoparticles
DOI:10.1063/1.4726041  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:4  AU: Stoib, B.;Langmann, T.;Matich, S.;Antesberger, T.;Stein, N.;Angst, S.;Petermann, N.;Schmechel, R.;Schierning, G.;Wolf, D. E.;Wiggers, H.;Stutzmann, M.;Brandt, M. S.;
19:153:4     Microchips for the Investigation of Thermal and Electrical Properties of Individual Nanowires
DOI:10.1007/s11664-009-1046-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:9  AU: Voelklein, F.;Reith, H.;Schmitt, M. C.;Huth, M.;Rauber, M.;Neumann, R.;
19:153:5     Anisotropic thermal conductivity of thin polycrystalline oxide samples
DOI:10.1063/1.4836555  JN:AIP ADVANCES  PY:2013
  TC:1  AU: Tiwari, A.;Boussois, K.;Nait-Ali, B.;Smith, D. S.;Blanchart, P.;
19:153:6     Artificially nanostructured n-type SiGe bulk thermoelectrics through plasma enhanced growth of alloy nanoparticles from the gas phase (vol 26, pg 1872, 2011)
DOI:10.1557/jmr.2011.311  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:1  AU: Stein, N.;Petermann, N.;Theissmann, R.;Schierning, G.;Schmechel, R.;Wiggers, H.;
19:154:1     Solvothermal synthesis and growth mechanism of Ag and Sb co-doped PbTe heterogeneous thermoelectric nanorods and nanocubes
DOI:10.1016/j.matchemphys.2012.01.011  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2012
  TC:4  AU: Liu, J.;Wang, X. G.;Peng, L. M.;
19:154:2     Lattice thermal conductivity diminution and high thermoelectric power factor retention in nanoporous macroassemblies of sulfur-doped bismuth telluride nanocrystals
DOI:10.1063/1.4711774  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:4  AU: Zhang, Yanliang;Mehta, Rutvik J.;Belley, Matthew;Han, Liang;Ramanath, Ganpati;Borca-Tasciuc, Theodorian;
19:154:3     Synthesis and Thermoelectric Properties of Thin Film Assemblies of Bismuth Telluride Nanopolyhedra
DOI:10.1021/cm2009847  JN:CHEMISTRY OF MATERIALS  PY:2011
  TC:14  AU: Purkayastha, Arup;Jain, Abhishek;Hapenciuc, Claudiu;Buckley, Rok;Singh, Binay;Karthik, C.;Mehta, Rutvik J.;Borca-Tasciuc, Theodorian;Ramanath, Ganpati;
19:154:4     Nanostructure and High Thermoelectric Performance in Nonstoichiometric AgPbSbTe Compounds: the Role of Ag
DOI:10.1007/s11664-011-1598-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Zhou, Min;Li, Jing-Feng;Wang, Heng;Kita, Takuji;Li, Laifeng;Chen, Zhen;
19:154:5     Template-free hydrothermal synthesis of PbS nanorod by the oriented attachment mechanism
DOI:10.1016/j.matlet.2011.01.011  JN:MATERIALS LETTERS  PY:2011
  TC:6  AU: Jin, Rencheng;Chen, Gang;Wang, Qun;Pei, Jian;
19:154:6     Nanostructured AgPb18SbS20 compound synthesized by hydrothermal method
DOI:10.1016/j.matlet.2012.11.028  JN:MATERIALS LETTERS  PY:2013
  TC:0  AU: Zhou, Youmo;Su, Taichao;Li, Hongtao;Li, Shangsheng;Hu, Meihua;Wang, Xiaodong;Ma, Hongan;Jia, Xiaopeng;
19:155:1     Heat flow in nanostructures in the Casimir regime
DOI:10.1103/PhysRevB.85.054304  JN:PHYSICAL REVIEW B  PY:2012
  TC:4  AU: Maris, Humphrey J.;Tamura, Shin-ichiro;
19:155:2     Diffraction of Quantum Dots Reveals Nanoscale Ultrafast Energy Localization
DOI:10.1021/n1502293a  JN:NANO LETTERS  PY:2014
  TC:4  AU: Vanacore, Giovanni M.;Hu, Jianbo;Liang, Wenxi;Bietti, Sergio;Sanguinetti, Stefano;Zewail, Ahmed H.;
19:155:3     Size effects on thermoelectric behavior of ultrathin NaxCoO2 films
DOI:10.1063/1.4901447  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Brinks, Peter;Rijnders, Guus;Huijben, Mark;
19:155:4     Size effects on thermoelectricity in a strongly correlated oxide
DOI:10.1103/PhysRevB.85.085112  JN:PHYSICAL REVIEW B  PY:2012
  TC:6  AU: Ravichandran, J.;Yadav, A. K.;Siemons, W.;McGuire, M. A.;Wu, V.;Vailionis, A.;Majumdar, A.;Ramesh, R.;
19:155:5     Determination of diminished thermal conductivity in silicon thin films using scanning thermoreflectance thermometry
DOI:10.1063/1.3527966  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:5  AU: Aubain, Max S.;Bandaru, Prabhakar R.;
19:155:6     In-plane thermal conductivity determination through thermoreflectance analysis and measurements
DOI:10.1063/1.3647318  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:4  AU: Aubain, Max S.;Bandaru, Prabhakar R.;
19:156:1     Thermal rectification in a polymer-functionalized single-wall carbon nanotube
DOI:10.1088/0957-4484/25/34/345401  JN:NANOTECHNOLOGY  PY:2014
  TC:0  AU: Pal, Souvik;Puri, Ishwar K.;
19:156:2     Water Nanoconfinement Induced Thermal Enhancement at Hydrophilic Quartz Interfaces
DOI:10.1021/nl9034658  JN:NANO LETTERS  PY:2010
  TC:19  AU: Hu, Ming;Goicochea, Javier V.;Michel, Bruno;Poulikakos, Dimos;
19:156:3     Dynamic rectification in a thermal diode based on fluid-solid interfaces: Contrasting behavior of soft materials and fluids
DOI:10.1063/1.4879833  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Murad, Sohail;Puri, Ishwar K.;
19:156:4     A thermal logic device based on fluid-solid interfaces
DOI:10.1063/1.4807173  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:2  AU: Murad, Sohail;Puri, Ishwar K.;
19:156:5     Thermal rectification in a fluid reservoir
DOI:10.1063/1.3696022  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:2  AU: Murad, Sohail;Puri, Ishwar K.;
19:156:6     Effect of nanopatterns on Kapitza resistance at a water-gold interface during boiling: A molecular dynamics study
DOI:10.1063/1.4749393  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Hu, Han;Sun, Ying;
19:156:7     Effect of nanostructures on evaporation and explosive boiling of thin liquid films: a molecular dynamics study
DOI:10.1007/s00339-011-6577-8  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2011
  TC:6  AU: Morshed, A. K. M. M.;Paul, Taitan C.;Khan, Jamil A.;
19:157:1     Low temperature thermoelectric properties of Cu intercalated TiSe2: a charge density wave material
DOI:10.1007/s00339-012-7536-8  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2013
  TC:5  AU: Bhatt, Ranu;Basu, Ranita;Bhattacharya, S.;Singh, A.;Aswal, D. K.;Gupta, S. K.;Okram, G. S.;Ganesan, V.;Venkateshwarlu, D.;Surgers, C.;Navaneethan, M.;Hayakawa, Y.;
19:157:2     Thermoelectric performance of Cu intercalated layered TiSe2 above 300 K
DOI:10.1063/1.4821798  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Bhatt, R.;Bhattacharya, S.;Patel, M.;Basu, R.;Singh, A.;Suerger, C.;Navaneethan, M.;Hayakawa, Y.;Aswal, D. K.;Gupta, S. K.;
19:157:3     Enhanced Thermoelectric Properties of Selenium-Deficient Layered TiSe2-x: A Charge-Density-Wave Material
DOI:10.1021/am503477z  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:2  AU: Bhatt, Ranu;Bhattacharya, Shovit;Basu, Ranita;Ahmad, Sajid;Chauhan, A. K.;Okram, G. S.;Bhatt, Pramod;Roy, Mainak;Navaneethan, M.;Hayakawa, Y.;Debnath, A. K.;Singh, Ajay;Aswal, D. K.;Gupta, S. K.;
19:157:4     Doping Nature of Native Defects in 1T-TiSe2
DOI:10.1103/PhysRevLett.112.197001  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:1  AU: Hildebrand, B.;Didiot, C.;Novello, A. M.;Monney, G.;Scarfato, A.;Ubaldini, A.;Berger, H.;Bowler, D. R.;Renner, C.;Aebi, P.;
19:157:5     FOCUS ISSUE: ADVANCES IN THERMOELECTRIC MATERIALS Introduction
DOI:10.1557/jmr.2011.200  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:4  AU: Tritt, Terry M.;Boettner, Harald;
19:158:1     Influence of heavy doping on Seebeck coefficient in silicon-on-insulator
DOI:10.1063/1.3282783  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:10  AU: Ikeda, H.;Salleh, F.;
19:158:2     Do we really need high thermoelectric figures of merit? A critical appraisal to the power conversion efficiency of thermoelectric materials
DOI:10.1063/1.3634018  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:11  AU: Narducci, Dario;
19:158:3     Seebeck Coefficient of Heavily P-Doped Si Calculated from an Alteration in Electronic Density of States
DOI:10.1007/s11664-010-1405-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:4  AU: Salleh, Faiz;Ikeda, Hiroya;
19:158:4     Modulation of Seebeck coefficient for silicon-on-insulator layer induced by bias-injected carriers
DOI:10.1063/1.4818152  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Salleh, F.;Suzuki, Y.;Miwa, K.;Ikeda, H.;
19:158:5     Phonon scattering enhancement in silicon nanolayers
DOI:10.1007/s10853-012-6828-x  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:1  AU: Narducci, Dario;Cerofolini, Gianfranco;Ferri, Matteo;Suriano, Francesco;Mancarella, Fulvio;Belsito, Luca;Solmi, Sandro;Roncaglia, Alberto;
19:158:6     Phonon drag effect on Seebeck coefficient of ultrathin P-doped Si-on-insulator layers
DOI:10.1063/1.4895470  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Salleh, F.;Oda, T.;Suzuki, Y.;Kamakura, Y.;Ikeda, H.;
19:158:7     A Global Design Approach for Large-Scale Thermoelectric Energy Harvesting Systems
DOI:10.1007/s11664-012-2430-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Roy, G.;Matagne, E.;Jacques, P. J.;
19:159:1     Enhanced carrier density in Nb-doped SrTiO3 thermoelectrics
DOI:10.1063/1.3692057  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:7  AU: Ozdogan, K.;Kahaly, M. Upadhyay;Kumar, S. R. Sarath;Alshareef, H. N.;Schwingenschlogl, U.;
19:159:2     Anomalous enhancement of the thermoelectric figure of merit by V co-doping of Nb-SrTiO3
DOI:10.1063/1.4714541  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:3  AU: Ozdogan, K.;Kahaly, M. Upadhyay;Alshareef, H. N.;Schwingenschloegl, U.;
19:159:3     Band structure engineering and vacancy induced metallicity at the GaAs-AlAs interface
DOI:10.1063/1.3643049  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:3  AU: Kahaly, M. Upadhyay;Nazir, S.;Schwingenschloegl, U.;
19:159:4     Half-metallic perovskite superlattices with colossal thermoelectric figure of merit
DOI:10.1039/c3ta11346a  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:1  AU: Kahaly, M. Upadhyay;Ozdogan, K.;Schwingenschloegl, U.;
19:159:5     Thermoelectric performance enhancement of SrTiO3 by Pr doping
DOI:10.1039/c3ta13947f  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2014
  TC:5  AU: Kahaly, M. Upadhyay;Schwingenschloegl, U.;
19:160:1     Mechanism behind the high thermoelectric power factor of SrTiO3 by calculating the transport coefficients
DOI:10.1063/1.4788809  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:6  AU: Shirai, Koun;Yamanaka, Kazunori;
19:160:2     Two-Dimensional Layered Complex Nitrides as a New Class of Thermoelectric Materials
DOI:10.1021/cm403840e  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:5  AU: Ohkubo, Isao;Mori, Takao;
19:160:3     Origin of coexisting large Seebeck coefficient and metallic conductivity in the electron doped SrTiO3 and KTaO3
DOI:10.1103/PhysRevB.81.205121  JN:PHYSICAL REVIEW B  PY:2010
  TC:10  AU: Usui, Hidetomo;Shibata, Shinsuke;Kuroki, Kazuhiko;
19:160:4     Theory of band warping and its effects on thermoelectronic transport properties
DOI:10.1103/PhysRevB.89.155131  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Mecholsky, Nicholas A.;Resca, Lorenzo;Pegg, Ian L.;Fornari, Marco;
19:160:5     Theory of polar corrections to donor binding
DOI:10.1103/PhysRevB.84.235203  JN:PHYSICAL REVIEW B  PY:2011
  TC:2  AU: Mahan, G. D.;Berland, Kristian;
19:161:1     Electron and phonon scattering in the high-temperature thermoelectric La3Te4-zMz (M=Sb,Bi)
DOI:10.1103/PhysRevB.81.125205  JN:PHYSICAL REVIEW B  PY:2010
  TC:10  AU: May, Andrew F.;Flage-Larsen, Espen;Snyder, G. Jeffrey;
19:161:2     Physical properties of Ce3-xTe4 below room temperature
DOI:10.1103/PhysRevB.86.035135  JN:PHYSICAL REVIEW B  PY:2012
  TC:3  AU: May, Andrew F.;McGuire, Michael A.;Cantoni, Claudia;Sales, Brian C.;
19:161:3     Electronic and thermoelectric properties of Ce3Te4 and La3Te4 computed with density functional theory with on-site Coulomb interaction correction
DOI:10.1063/1.4896670  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Trinh Vo;von Allmen, Paul;Huang, Chen-Kuo;Ma, James;Bux, Sabah;Fleurial, Jean-Pierre;
19:161:4     Optimizing Thermoelectric Efficiency in La3-xTe4 via Yb Substitution
DOI:10.1021/cm1004054  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:13  AU: May, Andrew F.;Fleurial, Jean-Pierre;Snyder, G. Jeffrey;
19:161:5     Rare earth chalcogenide Ce3Te4 as high efficiency high temperature thermoelectric material
DOI:10.1063/1.3597409  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:4  AU: Wang, Xiaochun;Yang, Ronggui;Zhang, Yong;Zhang, Peihong;Xue, Yu;
19:161:6     Magnetic properties of Tl(9)LnTe(6), Ln = Ce, Pr, Tb and Sm
DOI:10.1016/j.jallcom.2013.11.229  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Bangarigadu-Sanasy, Savitree;Sankar, Cheriyedath Raj;Dube, Paul A.;Greedan, John E.;Kleinke, Holger;
19:161:7     Solid state phase equilibria in the Te-rich region of the RE (RE = Ce, Nd and Pr)-Sn-Te ternary systems
DOI:10.1016/j.jallcom.2009.11.010  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:2  AU: Zhang, Guanghua;Zhan, Yongzhong;Luo, Fusheng;Liang, Jianlie;Li, Xianxiang;Zhou, Weiping;Gao, Qiannan;
19:162:1     Radial phononic thermal conductance in thin membranes in the Casimir limit: Design guidelines for devices
DOI:10.1063/1.4904362  JN:AIP ADVANCES  PY:2014
  TC:1  AU: Puurtinen, T. A.;Maasilta, I. J.;
19:162:2     Transition edge sensors with few-mode ballistic thermal isolation
DOI:10.1063/1.4893019  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Osman, D.;Withington, S.;Goldie, D. J.;Glowacka, D. M.;
19:162:3     Elastic and inelastic scattering at low temperature in low-dimensional phononic structures
DOI:10.1103/PhysRevB.87.205442  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Withington, S.;Goldie, D. J.;
19:162:4     Low-temperature thermal conductances of amorphous dielectric microbridges in the diffusive to ballistic transition
DOI:10.1103/PhysRevB.83.195418  JN:PHYSICAL REVIEW B  PY:2011
  TC:4  AU: Withington, S.;Goldie, D. J.;Velichko, A. V.;
19:162:5     Ultra-low-noise MoCu transition edge sensors for space applications
DOI:10.1063/1.3561432  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:5  AU: Goldie, D. J.;Velichko, A. V.;Glowacka, D. M.;Withington, S.;
19:162:6     Precision control of thermal transport in cryogenic single-crystal silicon devices
DOI:10.1063/1.4869737  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:3  AU: Rostem, K.;Chuss, D. T.;Colazo, F. A.;Crowe, E. J.;Denis, K. L.;Lourie, N. P.;Moseley, S. H.;Stevenson, T. R.;Wollack, E. J.;
19:162:7     Two-dimensional phononic thermal conductance in thin membranes in the Casimir limit
DOI:10.1063/1.3675925  JN:AIP ADVANCES  PY:2011
  TC:3  AU: Maasilta, I. J.;
19:163:1     Effects of Heavy Element Substitution on Electronic Structure and Lattice Thermal Conductivity of Fe2VAl Thermoelectric Material
DOI:10.1007/s11664-011-1862-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:9  AU: Terazawa, Yuichi;Mikami, Masashi;Itoh, Takashi;Takeuchi, Tsunehiro;
19:163:2     The structural, elastic and thermoelectric properties of Fe2VAl at pressures
DOI:10.1016/j.jallcom.2013.02.160  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:9  AU: Xu, Bin;Li, Xingfu;Yu, Gongqi;Zhang, Jing;Ma, Shanshan;Wang, Yusheng;Yi, Lin;
19:163:3     Fe2VAl-Based Thermoelectric Thin Films Prepared by a Sputtering Technique
DOI:10.1007/s11664-014-2994-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Furuta, Yukihiro;Kato, Keisuke;Miyawaki, Tetsuya;Asano, Hidefumi;Takeuchi, Tsunehiro;
19:163:4     Effect of Heavy Element Substitution and Off-Stoichiometric Composition on Thermoelectric Properties of Fe2VAl-Based Heusler Phase
DOI:10.1007/s11664-013-2532-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Takeuchi, Tsunehiro;Terazawa, Yuichi;Furuta, Yukihiro;Yamamoto, Akio;Mikami, Masashi;
19:163:5     The Effects of Element Substitution on Electronic Structure, Electron Transport Properties, and Lattice Thermal Conductivity of Fe2VAl Thermoelectric Material
DOI:10.2320/matertrans.M2010224  JN:MATERIALS TRANSACTIONS  PY:2010
  TC:6  AU: Goto, Hiroki;Terazawa, Yu-ichi;Mikami, Masashi;Takeuchi, Tsunehiro;
19:163:6     Microstructure and thermoelectric properties of Heusler Fe2VAl thin-films
DOI:10.1016/j.tsf.2009.08.029  JN:THIN SOLID FILMS  PY:2010
  TC:3  AU: Mikami, Masashi;Kamiya, Toshihiro;Kobayashi, Keizo;
19:163:7     Thermoelectric properties of Heusler-type compound Fe2V1-xNbxAl
DOI:10.1063/1.3609075  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:3  AU: Xu, Bin;Wang, Yuanxu;Zhao, Wenjie;Yan, Yuli;
19:163:8     Low-Temperature Thermoelectric Properties of Fe2VAl with Partial Cobalt Doping
DOI:10.1007/s11664-012-2025-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Liu, Chang;Morelli, Donald T.;
19:164:1     Elastic, thermodynamic, and electronic properties of MnSi, FeSi, and CoSi
DOI:10.1103/PhysRevB.82.155124  JN:PHYSICAL REVIEW B  PY:2010
  TC:11  AU: Petrova, Alla E.;Krasnorussky, Vladimir N.;Shikov, Anatoly A.;Yuhasz, William M.;Lograsso, Thomas A.;Lashley, Jason C.;Stishov, Sergei M.;
19:164:2     Effects of Ni, Pd, and Pt Substitutions on Thermoelectric Properties of CoSi Alloys
DOI:10.1007/s11664-012-2211-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Sun, Hui;Lu, Xu;Morelli, Donald T.;
19:164:3     Self-doping effects in cobalt silicide CoSi: Electrical, magnetic, elastic, and thermodynamic properties
DOI:10.1103/PhysRevB.86.064433  JN:PHYSICAL REVIEW B  PY:2012
  TC:5  AU: Stishov, Sergei M.;Petrova, Alla E.;Sidorov, Vladimir A.;Krasnorussky, Vladimir N.;Menzel, Dirk;
19:164:4     The role of boron segregation in enhanced thermoelectric power factor of CoSi1-xBx alloys
DOI:10.1063/1.3671066  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:4  AU: Sun, Hui;Morelli, Donald T.;Kirkham, Melanie J.;Meyer, Harry M., III;Lara-Curzio, Edgar;
19:164:5     Thermoelectric Properties of Co1-xRhxSi0.98B0.02 Alloys
DOI:10.1007/s11664-011-1883-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Sun, Hui;Morelli, Donald T.;
19:164:6     Elastic and phonon properties of FeSi and CoSi in the B2 structure
DOI:10.1080/14786435.2011.617323  JN:PHILOSOPHICAL MAGAZINE  PY:2012
  TC:2  AU: Acun, Alev Duygu;Soyalp, Fethi;
19:164:7     Reply to "Comment on 'Self-doping effects in cobalt silicide CoSi: Electrical, magnetic, elastic, and thermodynamic properties' "
DOI:10.1103/PhysRevB.87.136402  JN:PHYSICAL REVIEW B  PY:2013
  TC:0  AU: Stishov, Sergei M.;Petrova, Alla E.;Sidorov, Vladimir A.;Menzel, Dirk;
19:164:8     Comment on "Self-doping effects in cobalt silicide CoSi: Electrical, magnetic, elastic, and thermodynamic properties"
DOI:10.1103/PhysRevB.87.136401  JN:PHYSICAL REVIEW B  PY:2013
  TC:0  AU: Narozhnyi, V. N.;
19:164:9     Stability and Thermoelectric Properties of Transition-Metal Silicides
DOI:10.1007/s11664-010-1466-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:2  AU: Viennois, R.;Tao, X.;Jund, P.;Tedenac, J. -C.;
19:164:10     Structural Characterization and Thermoelectric Properties of Hot-Pressed CoSi Nanocomposites
DOI:10.1007/s11664-014-3213-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Ioannou, Maria;Symeou, Elli;Giapintzakis, John;Kyratsi, Theodora;
19:164:11     Ground state and phonon spectrum of NiSi2
DOI:10.1080/14786435.2010.522212  JN:PHILOSOPHICAL MAGAZINE  PY:2011
  TC:3  AU: Soyalp, Fethi;Ugur, Gokay;
19:165:1     Measurement of the Kapitza resistance across a bicrystal interface
DOI:10.1063/1.3573511  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:14  AU: Hurley, D. H.;Khafizov, M.;Shinde, S. L.;
19:165:2     Misorientation dependence of Al2O3 grain boundary thermal resistance
DOI:10.1063/1.4788688  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:1  AU: Tai, Kaiping;Lawrence, Abigail;Harmer, Martin P.;Dillon, Shen J.;
19:165:3     Time resolved imaging of carrier and thermal transport in silicon
DOI:10.1063/1.3272827  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:7  AU: Hurley, D. H.;Wright, O. B.;Matsuda, O.;Shinde, S. L.;
19:165:4     Measurement of thermal transport using time-resolved thermal wave microscopy
DOI:10.1063/1.3653829  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:4  AU: Khafizov, Marat;Hurley, David H.;
19:165:5     Spatially localized measurement of thermal conductivity using a hybrid photothermal technique
DOI:10.1063/1.4716474  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Hua, Zilong;Ban, Heng;Khafizov, Marat;Schley, Robert;Kennedy, Rory;Hurley, David H.;
19:165:6     Structure of screw dislocations in a (0001)/[0001] low-angle twist grain boundary of alumina (alpha-Al2O3)
DOI:10.1016/j.actamat.2011.11.027  JN:ACTA MATERIALIA  PY:2012
  TC:4  AU: Tochigi, E.;Kezuka, Y.;Shibata, N.;Nakamura, A.;Ikuhara, Y.;
19:165:7     Parametric study of the frequency-domain thermoreflectance technique
DOI:10.1063/1.4761977  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:5  AU: Xing, C.;Jensen, C.;Hua, Z.;Ban, H.;Hurley, D. H.;Khafizov, M.;Kennedy, J. R.;
19:166:1     Thermal conductivity of hybrid graphene/silicon heterostructures
DOI:10.1063/1.4826492  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:6  AU: Jing, Yuhang;Hu, Ming;Guo, Licheng;
19:166:2     Atomistic simulations on the mechanical properties of a silicon nanofilm covered with graphene
DOI:10.1016/j.commatsci.2011.05.029  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2011
  TC:8  AU: Jing, Yuhang;Aluru, N. R.;
19:166:3     A Nonequilibrium Molecular Dynamics Study of In-Plane Thermal Conductivity of Silicon Thin Films
DOI:10.1007/s11664-010-1263-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:3  AU: Chang, Tai-Ming;Weng, Chien-Chou;Huang, Mei-Jiau;
19:166:4     Atomistic simulations on the mechanical properties of a silicon nanofilm covered with graphene (vol 50, pg 3063, 2011)
DOI:10.1016/j.commatsci.2012.12.005  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2013
  TC:0  AU: Jing, Yuhang;Aluru, N. R.;
19:166:5     Effects of interfacial bonding in the Si-carbon nanotube nanocomposite: A molecular dynamics approach
DOI:10.1063/1.4748133  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Kim, Byung-Hyun;Lee, Kwang-Ryeol;Chung, Yong-Chae;Lee, June Gunn;
19:167:1:1     Edge-induced flattening in the fabrication of ultrathin freestanding crystalline silicon sheets
DOI:10.1063/1.4789553  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:3  AU: Gopalakrishnan, Gokul;Czaplewski, David A.;McElhinny, Kyle M.;Holt, Martin V.;Silva-Martinez, Juan C.;Evans, Paul G.;
19:167:1:2     Nanostructure formation in the initial roughening of a thin silicon sheet
DOI:10.1103/PhysRevB.81.041302  JN:PHYSICAL REVIEW B  PY:2010
  TC:4  AU: Seo, S.;Euaruksakul, C.;Savage, D. E.;Lagally, M. G.;Evans, P. G.;
19:167:1:3     Electron mobility increase in submicronic transistors integrated on ultrathin silicon membranes subjected to high mechanical stress
DOI:10.1063/1.3343348  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:5  AU: Bercu, Bogdan;Montes, Laurent;Rochette, Florent;Mouis, Mireille;Xin, Xu;Morfouli, Panagiota;
19:167:2:1     Fabrication of large area ultrathin silicon membrane: Application for high efficiency extreme ultraviolet diffraction gratings
DOI:10.1116/1.3290746  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2010
  TC:11  AU: Constancias, C.;Dalzotto, B.;Michallon, P.;Wallace, J.;Saib, M.;
19:167:2:2     Scanned-spot-array extreme ultraviolet imaging for high-volume maskless lithography
DOI:10.1116/1.4752112  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2012
  TC:1  AU: Johnson, Kenneth C.;
19:167:2:3     Silicon nitride zoneplates and packaging for extreme ultraviolet instruments
DOI:10.1116/1.4826695  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2013
  TC:0  AU: Anderson, Erik H.;Chao, Weilun;Gullikson, Eric M.;Rekawa, Senajith;Andresen, Nord;Naulleau, Patrick;
19:167:2:4     Reflective electron beam lithography: A maskless ebeam direct write lithography approach using the reflective electron beam lithography concept
DOI:10.1116/1.3511436  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B  PY:2010
  TC:3  AU: Petric, Paul;Bevis, Chris;McCord, Mark;Carroll, Allen;Brodie, Alan;Ummethala, Upendra;Grella, Luca;Cheung, Anthony;Freed, Regina;
19:167:3:1     Fabrication of large-area ultra-thin single crystal silicon membranes
DOI:10.1063/1.3665620  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:8  AU: Dang, Z. Y.;Motapothula, M.;Ow, Y. S.;Venkatesan, T.;Breese, M. B. H.;Rana, M. A.;Osman, A.;
19:167:3:2     Origin of ringlike angular distributions observed in rainbow channeling in ultrathin crystals
DOI:10.1103/PhysRevB.86.205426  JN:PHYSICAL REVIEW B  PY:2012
  TC:4  AU: Motapothula, M.;Petrovic, S.;Neskovic, N.;Dang, Z. Y.;Breese, M. B. H.;Rana, M. A.;Osman, A.;
19:167:3:3     Influence of the Narrow {111} Planes on Axial and Planar Ion Channeling
DOI:10.1103/PhysRevLett.108.195502  JN:PHYSICAL REVIEW LETTERS  PY:2012
  TC:5  AU: Motapothula, M.;Dang, Z. Y.;Venkatesan, T.;Breese, M. B. H.;Rana, M. A.;Osman, A.;
19:168:1:1     An investigation of cure and thermal stability of poly(amide-amidic acid) modified tetraglycidyl 4,4-diaminodiphenylmethane/4,4-diaminodiphenylsulfone
DOI:10.1002/app.37890  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2013
  TC:6  AU: Chen, Haiming;Lv, Renguo;Liu, Pei;Wang, Hongyan;Huang, Zhongyuan;Huang, Ting;Li, Tongsheng;
19:168:1:2     Investigation of the Relationship Between Morphology and Tribological Properties of an Epoxy Resin Based on Tetraglycidyl 4,4 '-Diaminodiphenylmethane Modified with Polyetherimide Oligomers
DOI:10.1002/app.39863  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2014
  TC:1  AU: Chen, Haiming;Su, Chao;Huang, Ting;Li, Tongsheng;
19:168:1:3     Effects of Thermal Imidization on Mechanical Properties of Poly(amide-co-imide)/Multiwalled Carbon Nanotube Composite Films
DOI:10.1002/app.32177  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2010
  TC:15  AU: Lee, Seung Hwan;Choi, Sheong Hyun;Kim, Seong Yun;Youn, Jae Ryoun;
19:168:1:4     Cure and thermal stability of poly(amide-amidic acid)-cured tetraglycidyl 4,4 '-diaminodiphenylmethane
DOI:10.1002/app.36430  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2012
  TC:6  AU: Chen, Haiming;Lu, Renguo;Li, Pei;Wang, Hongyan;Huang, Ting;Huang, Zhongyuan;Li, Tongsheng;
19:168:1:5     A New Schiff Base Epoxy Oligomer Resin: Synthesis, Characterization, and Thermal Decomposition Kinetics
DOI:10.1002/app.33843  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2011
  TC:4  AU: Kaya, Ismet;Dogan, Fatih;Gul, Murat;
19:168:1:6     Effect of Poly(etherimide) Chemical Structures on the Properties of Epoxy/Poly(etherimide) Blends and Their Carbon Fiber-Reinforced Composites
DOI:10.1002/app.32916  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2011
  TC:4  AU: Chen, Weiming;Tao, Zhiqiang;Fan, Lin;Yang, Shiyong;Jiang, Wenge;Wang, Junfeng;Xiong, Yanli;
19:168:2:1     Enhanced dispersion for electrical percolation behavior of multi-walled carbon nanotubes in polymer nanocomposites using simple powder mixing and in situ polymerization with surface treatment of the fillers
DOI:10.1016/j.compscitech.2013.09.013  JN:COMPOSITES SCIENCE AND TECHNOLOGY  PY:2013
  TC:9  AU: Noh, Ye Ji;Pak, Seong Yeol;Hwang, Soon Hyoung;Hwang, Jun Yeon;Kim, Seong Yun;Youn, Jae Ryoun;
19:168:2:2     Improved thermal conductivity of polymeric composites fabricated by solvent-free processing for the enhanced dispersion of nanofillers and a theoretical approach for composites containing multiple heterogeneities and geometrized nanofillers
DOI:10.1016/j.compscitech.2014.06.028  JN:COMPOSITES SCIENCE AND TECHNOLOGY  PY:2014
  TC:4  AU: Kim, Seong Yun;Noh, Ye Ji;Yu, Jaesang;
19:168:3:1     Synthesis, characterization, and properties of low viscosity tetra-functional epoxy resin N, N, N ', N '-tetraglycidyl-3,3 '-diethyl-4,4 '-diaminodiphenylmethane
DOI:10.1002/app.40009  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2014
  TC:2  AU: Zheng, Fuqin;Zhao, Xiaojuan;Yang, Xin;Zhang, Ying;Huang, Wei;
19:168:3:2     High-contrast, high-sensitivity aqueous base-developable polynorbornene dielectric
DOI:10.1002/app.37998  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2013
  TC:2  AU: Raeis-Zadeh, Mehrsa;Kohl, Paul A.;
19:168:3:3     Morphology and properties of TGDDM/DDS epoxy systems toughened by amino-bearing phenyl silicone resins
DOI:10.1007/s10853-012-6298-1  JN:JOURNAL OF MATERIALS SCIENCE  PY:2012
  TC:4  AU: Zhang, Ying;Shang, Chengyuan;Yang, Xin;Zhao, Xiaojuan;Huang, Wei;
19:169:1     Molecular dynamics prediction of thermal conductivity of GaN films and wires at realistic length scales
DOI:10.1103/PhysRevB.81.155321  JN:PHYSICAL REVIEW B  PY:2010
  TC:14  AU: Zhou, X. W.;Jones, R. E.;Aubry, S.;
19:169:2     Analytical law for size effects on thermal conductivity of nanostructures
DOI:10.1103/PhysRevB.81.073304  JN:PHYSICAL REVIEW B  PY:2010
  TC:10  AU: Zhou, X. W.;Jones, R. E.;Aubry, S.;
19:169:3     Thermosize effects and thermodynamic analysis of a macro/nano scaled refrigerator cycle
DOI:10.1063/1.3678597  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:4  AU: Wang, Hao;Wu, Guoxing;Chen, Xinbin;
19:169:4     Ecological optimization for generalized irreversible macro/nano thermosize engine
DOI:10.1063/1.4790369  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Wang, Hao;Wu, Guoxing;
19:169:5     Thermosize effects and irreversibility on the performance of a macro/nano scaled refrigeration cycle
DOI:10.1063/1.4759288  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Wang, Hao;Wu, Guoxing;
19:169:6     Performance analysis of a micro-scaled quantum Stirling refrigeration cycle
DOI:10.1063/1.4754420  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:0  AU: Lin, Bihong;Huang, Zhifu;Chen, Jincan;
19:170:1:1     Transverse-Type Short-Circuited Thermoelements
DOI:10.1007/s11664-011-1825-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:0  AU: Anatychuk, L. I.;Kobylyansky, R. R.;
19:170:1:2     Power Properties of the Transverse Short-Circuited Thermoelement
DOI:10.1007/s11664-010-1205-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:5  AU: Anatychuk, L. I.;Kobylyansky, R. R.;
19:170:1:3     Short-Circuited Thermoelement in Cooling Mode
DOI:10.1007/s11664-011-1544-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:1  AU: Anatychuk, L. I.;Kobylyansky, R. R.;
19:170:1:4     Porous Materials in Synthetic Transverse Thermoelements
DOI:10.1007/s11664-009-1036-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:2  AU: Goldsmid, H. J.;
19:170:2:1     New Method for Evaluating the Peltier Coefficient Based on Temperature Measurements in a Thermoelectric Module
DOI:10.1007/s11664-012-1966-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:4  AU: Garrido, J.;Casanovas, A.;
19:170:2:2     Optimal Electrical Conductivity for Maximum Thermoelectric Figure of Merit
DOI:10.1007/s11664-010-1364-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:2  AU: Min, Gao;
19:170:2:3     Detailed Modeling and Irreversible Transfer Process Analysis of a Multi-Element Thermoelectric Generator System
DOI:10.1007/s11664-011-1596-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:10  AU: Xiao, Heng;Gou, Xiaolong;Yang, Suwen;
19:170:3:1     The central role of the Peltier coefficient in thermoelectric cooling
DOI:10.1063/1.4869776  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Garrido, J.;Casanovas, A.;
19:170:3:2     The transient behavior of Peltier junctions pulsed with supercooling
DOI:10.1063/1.4735469  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Mao, J. N.;Chen, H. X.;Jia, H.;Qian, X. L.;
19:171:1     Phonon scattering in strained transition layers for GaN heteroepitaxy
DOI:10.1103/PhysRevB.89.115301  JN:PHYSICAL REVIEW B  PY:2014
  TC:1  AU: Cho, Jungwan;Li, Yiyang;Hoke, William E.;Altman, David H.;Asheghi, Mehdi;Goodson, Kenneth E.;
19:171:2     The impact of film thickness and substrate surface roughness on the thermal resistance of aluminum nitride nucleation layers
DOI:10.1063/1.4808238  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Su, Zonghui;Freedman, Justin P.;Leach, Jacob H.;Preble, Edward A.;Davis, Robert F.;Malen, Jonathan A.;
19:171:3     Thermal boundary conductance across metal-gallium nitride interfaces from 80 to 450 K
DOI:10.1063/1.4902233  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Donovan, Brian F.;Szwejkowski, Chester J.;Duda, John C.;Cheaito, Ramez;Gaskins, John T.;Yang, C. -Y. Peter;Constantin, Costel;Jones, Reese E.;Hopkins, Patrick E.;
19:171:4     Layer-by-layer thermal conductivities of the Group III nitride films in blue/green light emitting diodes
DOI:10.1063/1.4718354  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:10  AU: Su, Zonghui;Huang, Li;Liu, Fang;Freedman, Justin P.;Porter, Lisa M.;Davis, Robert F.;Malen, Jonathan A.;
19:171:5     Impact of AlN nucleation layer on strain in GaN grown on 4H-SiC substrates
DOI:10.1016/j.jcrysgro.2013.02.001  JN:JOURNAL OF CRYSTAL GROWTH  PY:2013
  TC:3  AU: Cho, E.;Mogilatenko, A.;Brunner, F.;Richter, E.;Weyers, M.;
19:172:1     Low lattice thermal conductivity suppressed by Sr-deficiency in Sr0.9Ca0.1Si2
DOI:10.1063/1.4817576  JN:AIP ADVANCES  PY:2013
  TC:0  AU: Lue, C. S.;Tseng, Y. S.;Huang, J. Y.;Hsieh, H. L.;Liao, H. Y.;Kuo, Y. K.;
19:172:2     Investigation of Al substitution on the thermoelectric properties of SrSi2
DOI:10.1016/j.matchemphys.2012.10.009  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2012
  TC:3  AU: Kuo, Y. K.;Lue, C. S.;Hsu, G.;Huang, J. Y.;Hsieh, H. L.;
19:172:3     First-principles calculations of electronic, optical, and thermodynamic properties of SrSi2
DOI:10.1063/1.3532031  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:7  AU: Chen, Z. J.;Tian, D. B.;
19:172:4     Chemical pressure effect on thermoelectric properties of Ca and Ba substituted SrSi2 alloys
DOI:10.1063/1.4772973  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Lue, C. S.;Wong, S. F.;Huang, J. Y.;Hsieh, H. L.;Liao, H. Y.;Ramachandran, B.;Kuo, Y. K.;
19:172:5     Basic properties of Sr1-xBaxSi2
DOI:10.1016/j.tsf.2011.05.040  JN:THIN SOLID FILMS  PY:2011
  TC:6  AU: Imai, Motoharu;Sato, Akira;Kimura, Takashi;Aoyagi, Takeshi;
19:172:6     First-principles study of the structural, electronic, and optical properties of Y-doped SrSi2
DOI:10.1063/1.4788715  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Chen, Zhongjun;Yu, Meisun;Chen, Taihong;
19:173:1     Superconductivity and crystalline electric field effects in the filled skutterudite PrRu4As12
DOI:10.1103/PhysRevB.82.104513  JN:PHYSICAL REVIEW B  PY:2010
  TC:5  AU: Sayles, T. A.;Baumbach, R. E.;Yuhasz, W. M.;Maple, M. B.;Bochenek, L.;Wawryk, R.;Cichorek, T.;Pietraszko, A.;Henkie, Z.;Ho, P. -C.;
19:173:2     Filled skutterudite CeFe4As12: Disclosure of a semiconducting state
DOI:10.1103/PhysRevB.84.165109  JN:PHYSICAL REVIEW B  PY:2011
  TC:5  AU: Wawryk, R.;Henkie, Z.;Pietraszko, A.;Cichorek, T.;Kepinski, L.;Jezierski, A.;Kaczkowski, J.;Baumbach, R. E.;Maple, M. B.;
19:173:3     Evidence for multiple superconducting gaps in the filled skutterudite compound LaRu4As12
DOI:10.1103/PhysRevB.86.060511  JN:PHYSICAL REVIEW B  PY:2012
  TC:4  AU: Bochenek, Lukasz;Wawryk, Ryszard;Henkie, Zygmunt;Cichorek, Tomasz;
19:173:4     Structural, elastic, electronic and thermodynamic properties of the filled skutterudite CeOs4Sb12 determined by density functional theory
DOI:10.1016/j.mssp.2013.05.003  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2013
  TC:5  AU: Ameri, M.;Boudia, K.;Khenata, R.;Bouhafs, B.;Rais, A.;Bin Omran, S.;Abidri, B.;Al-Douri, Y.;
19:173:5     Search for heavy quasiparticles in the resistivity of PrOs4Sb12 in magnetic fields: Comparison with Pr0.7La0.3Os4Sb12
DOI:10.1103/PhysRevB.81.054509  JN:PHYSICAL REVIEW B  PY:2010
  TC:3  AU: Andraka, B.;Rotundu, C. R.;Ingersent, K.;
19:173:6     Low-temperature anomalies in the specific heat of PrOs4Sb12
DOI:10.1103/PhysRevB.81.024517  JN:PHYSICAL REVIEW B  PY:2010
  TC:2  AU: Andraka, B.;McBriarty, M. E.;Rotundu, C. R.;
19:173:7     High-magnetic-field study of magnetic and transport properties of hole-doped NdBaCo2O5+delta
DOI:10.1103/PhysRevB.84.184440  JN:PHYSICAL REVIEW B  PY:2011
  TC:1  AU: Vlakhov, E. S.;Kozlova, N.;Lobanovskii, L. S.;Wawryk, R.;Nenkov, K. A.;
19:173:8     Skutterudites under pressure: An ab initio study
DOI:10.1063/1.4867041  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Ram, Swetarekha;Kanchana, V.;Valsakumar, M. C.;
19:173:9     Effect of Pd for Rh substitution on thermoelectric power in the semimetallic compound URhGa5
DOI:10.1016/j.jallcom.2013.09.039  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Wawryk, Ryszard;Waszkiewicz, Barbara;Henkie, Zygmunt;
19:173:10     Structural, elastic, electronic and thermodynamic properties of uranium filled skutterudites UFe4P12: First principle method
DOI:10.1016/j.mssp.2014.06.054  JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING  PY:2014
  TC:1  AU: Ameri, Mohammed;Amel, Slamani;Abidri, Boualem;Ameri, Ibrahim;Al-Douri, Y.;Bouhafs, Bachir;Varshney, Dinesh;Aze-Eddine, Adjadj;Nadia, Louahala;
19:174:1     Structural Evolution of GdBaCo2O5+delta (delta=7/18) at Elevated Temperatures
DOI:10.1021/cm503132e  JN:CHEMISTRY OF MATERIALS  PY:2014
  TC:0  AU: Ishizawa, Nobuo;Asaka, Toru;Kudo, Tatsunari;Fukuda, Koichiro;Yasuhara, Akira;Abe, Nobuyuki;Arima, Taka-hisa;
19:174:2     Crystal structure and structural phase transitions in the GdBaCo2O5.0 cobaltite
DOI:10.1103/PhysRevB.84.104107  JN:PHYSICAL REVIEW B  PY:2011
  TC:6  AU: Lo Presti, Leonardo;Allieta, Mattia;Scavini, Marco;Ghigna, Paolo;Loconte, Laura;Scagnoli, Valerio;Brunelli, Michela;
19:174:3     Structural Phase Transition and Magnetic-Field Effect on the Modulated Structure in GdBaCo2O5+delta (delta < 0.5)
DOI:10.1103/PhysRevLett.110.125502  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:1  AU: Asaka, T.;Abe, N.;Kudo, T.;Fukuda, K.;Kimoto, K.;Matsui, Y.;Ishizawa, N.;Arima, T.;
19:174:4     Influence of tetragonal distortion on the magnetic and electronic properties of the Heusler compound Co2TiSn from first principles
DOI:10.1063/1.3459145  JN:APPLIED PHYSICS LETTERS  PY:2010
  TC:4  AU: Meinert, Markus;Schmalhorst, Jan-Michael;Reiss, Guenter;
19:174:5     Simultaneous para-ferrimagnetic, metal-insulator, and orthorhombic-monoclinic transitions in YBaCo2O5.50
DOI:10.1103/PhysRevB.81.132405  JN:PHYSICAL REVIEW B  PY:2010
  TC:6  AU: Padilla-Pantoja, Jessica;Frontera, Carlos;Castano, Oscar;Luis Garcia-Munoz, Jose;
19:174:6     Spin-lattice interaction in the insulator-to-metal transition of GdBaCo2O5+delta
DOI:10.1103/PhysRevB.84.235144  JN:PHYSICAL REVIEW B  PY:2011
  TC:1  AU: Allieta, Mattia;Oliva, Cesare;Scavini, Marco;Cappelli, Serena;Pomjakushina, Ekaterina;Scagnoli, Valerio;
19:174:7     Charge ordering transition in GdBaCo2O5: Evidence of reentrant behavior
DOI:10.1103/PhysRevB.88.214104  JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758;  PY:100  TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the  AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
19:174:8     Spin state and structural changes at the metal-insulator transition in YBaCo2O5.5 by synchrotron x-rays
DOI:10.1063/1.3673831  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:0  AU: Padilla-Pantoja, J.;Frontera, C.;Herrero-Martin, J.;Garcia-Munoz, J. Luis;
19:175:1     On the sol-gel synthesis and structure, optical, magnetic and impedance behaviour of strontium cobaltite powder
DOI:10.1016/j.jallcom.2010.12.125  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:10  AU: Jaiswal, Shivendra Kumar;Kumar, Jitendra;
19:175:2     On the sol-gel synthesis and characterization of strontium ferrite ceramic material
DOI:10.1016/j.materresbull.2011.12.020  JN:MATERIALS RESEARCH BULLETIN  PY:2012
  TC:5  AU: Jaiswal, Shivendra Kumar;Kashyap, Vijay Kumar;Kumar, Jitendra;
19:175:3     Sol-gel formation, Mossbauer studies, optical absorption and impedance characteristics of Ba0.5Sr0.5Zn0.2Fe0.8O3-xi powder
DOI:10.1016/j.matchemphys.2012.06.013  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2012
  TC:1  AU: Jaiswal, Shivendra Kumar;Kumar, Jitendra;
19:175:4     Enhanced performance of the Sm0.5Sr0.5CoO3 (-) (delta) double layer porous cathode for solid oxide fuel cells
DOI:10.1016/j.ssi.2010.09.017  JN:SOLID STATE IONICS  PY:2011
  TC:8  AU: Park, Inyu;Im, Jongmo;Choi, Jinyi;Ahn, Jungmin;Shin, Dongwook;
19:175:5     A novel series of Ba0.5Sr0.5Al0.2-xMgxFe0.8O3-xi, (x <= 0.2) membranes for oxygen permeation application
DOI:10.1016/j.jeurceramsoc.2013.08.040  JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY  PY:2014
  TC:0  AU: Jaiswal, Shivendra Kumar;Kumar, Jitendra;
19:176:1     Enhancement of the thermoelectric performance in nano-/micro-structured p-type Bi0.4Sb1.6Te3 fabricated by mechanical alloying and vacuum hot pressing
DOI:10.1016/j.jallcom.2013.12.068  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Lee, Pee-Yew;Chen, Tzu-Chien;Huang, Jing-Yi;Hsieh, Huey-Lin;Jang, Jason Shian-Ching;
19:176:2     The Influence of Anisotropy and Nanoparticle Size Distribution on the Lattice Thermal Conductivity and the Thermoelectric Figure of Merit of Nanostructured (Bi,Sb)(2)Te-3
DOI:10.1007/s11664-014-2988-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:4  AU: Bulat, L. P.;Drabkin, I. A.;Karatayev, V. V.;Osvenskii, V. B.;Parkhomenko, Yu. N.;Pshenay-Severin, D. A.;Sorokin, A. I.;
19:176:3     Bulk Nanostructured Polycrystalline p-Bi-Sb-Te Thermoelectrics Obtained by Mechanical Activation Method with Hot Pressing
DOI:10.1007/s11664-010-1250-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:10  AU: Bulat, L. P.;Bublik, V. T.;Drabkin, I. A.;Karataev, V. V.;Osvenskii, V. B.;Parkhomenko, Yu. N.;Pivovarov, G. I.;Pshenai-Severin, D. A.;Tabachkova, N. Yu.;
19:176:4     Structure and Transport Properties of Bulk Nanothermoelectrics Based on Bi (x) Sb2-x Te-3 Fabricated by SPS Method
DOI:10.1007/s11664-013-2536-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:5  AU: Bulat, L. P.;Drabkin, I. A.;Karatayev, V. V.;Osvenskii, V. B.;Parkhomenko, Yu. N.;Lavrentev, M. G.;Sorokin, A. I.;Pshenai-Severin, D. A.;Blank, V. D.;Pivovarov, G. I.;Bublik, V. T.;Tabachkova, N. Yu.;
19:176:5     Nonmonotonic change in the structural grain size of the Bi0.4Sb1.6Te3 thermoelectric material synthesised by spark plasma sintering
DOI:10.1016/j.jallcom.2013.04.087  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:4  AU: Osvenskiy, V. B.;Panchenko, V. P.;Parkhomenko, Yu. N.;Sorokin, A. I.;Bogomolov, D. I.;Bublik, V. T.;Tabachkova, N. Yu.;
19:176:6     High-performance flat-panel solar thermoelectric generators with high thermal concentration
DOI:10.1038/NMAT3013  JN:NATURE MATERIALS  PY:2011
  TC:210  AU: Kraemer, Daniel;Poudel, Bed;Feng, Hsien-Ping;Caylor, J. Christopher;Yu, Bo;Yan, Xiao;Ma, Yi;Wang, Xiaowei;Wang, Dezhi;Muto, Andrew;McEnaney, Kenneth;Chiesa, Matteo;Ren, Zhifeng;Chen, Gang;
19:177:1     Localized Order-Disorder Transitions Induced by Li Segregation in Amorphous TiO2 Nanoparticles
DOI:10.1021/am5048398  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:3  AU: Yildirim, Handan;Greeley, Jeffrey P.;Sankaranarayanan, Subramanian K. R. S.;
19:177:2     Vibrational density of states of silicon nanoparticles
DOI:10.1103/PhysRevB.83.014301  JN:PHYSICAL REVIEW B  PY:2011
  TC:9  AU: Meyer, R.;Comtesse, D.;
19:177:3     Vibrational density of states of TiO2 nanoparticles
DOI:10.1016/j.jnoncrysol.2013.04.022  JN:JOURNAL OF NON-CRYSTALLINE SOLIDS  PY:2013
  TC:0  AU: Ghuman, Kulbir Kaur;Goyal, Navdeep;Prakash, Satya;
19:177:4     Structure factor of amorphous TiO2 nanoparticle; Molecular Dynamics Study
DOI:10.1016/j.jnoncrysol.2011.05.034  JN:JOURNAL OF NON-CRYSTALLINE SOLIDS  PY:2011
  TC:8  AU: Kaur, Kulbir;Prakash, Satya;Goyal, Navdeep;Singh, Ranber;Entel, P.;
19:177:5     Structural, dynamic, and vibrational properties during heat transfer in Si/Ge superlattices: A Car-Parrinello molecular dynamics study
DOI:10.1063/1.4850935  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:0  AU: Ji, Pengfei;Zhang, Yuwen;Yang, Mo;
19:177:6     Vibrational and thermodynamic properties of metal clusters with up to 150 atoms calculated by the embedded-atom method
DOI:10.1103/PhysRevB.83.155413  JN:PHYSICAL REVIEW B  PY:2011
  TC:6  AU: Grigoryan, Valeri G.;Springborg, Michael;
19:177:7     Strained structure of differently prepared amorphous TiO2 nanoparticle: Molecular dynamics study
DOI:10.1557/jmr.2011.237  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:2  AU: Kaur, Kulbir;Prakash, Satya;Goyal, Navdeep;
19:177:8     Compositional Tuning of Structural Stability of Lithiated Cubic Titania via a Vacancy-Filling Mechanism under High Pressure
DOI:10.1103/PhysRevLett.110.078304  JN:PHYSICAL REVIEW LETTERS  PY:2013
  TC:2  AU: Xiong, Hui;Yildirim, Handan;Podsiadlo, Paul;Zhang, Jun;Prakapenka, Vitali B.;Greeley, Jeffrey P.;Shevchenko, Elena V.;Zhuravlev, Kirill K.;Tkachev, Sergey;Sankaranarayanan, Subramanian K. R. S.;Rajh, Tijana;
19:178:1     Texturing of (Bi0.2Sb0.8)(2)Te-3 Nanopowders by Open Die Pressing
DOI:10.1007/s11664-012-2313-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Ceresara, S.;Fanciulli, C.;Passaretti, F.;Vasilevskiy, D.;
19:178:2     Effects of Metal Particles Decoration on n-Type Chalcogenides Processed by Open Die Pressing
DOI:10.1007/s11664-014-3052-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Fanciulli, C.;Codecasa, M.;Passaretti, F.;Vasilevskiy, D.;
19:178:3     Improving Bi2Te3-based thermoelectric nanowire microstructure via thermal processing
DOI:10.1557/jmr.2013.370  JN:JOURNAL OF MATERIALS RESEARCH  PY:2014
  TC:1  AU: Siegal, Michael P.;Limmer, Steven J.;Lensch-Falk, Jessica L.;Erickson, Kristopher J.;Medlin, Douglas L.;Yelton, W. Graham;Rochford, Caitlin;
19:178:4     Thermoelectric Properties as a Function of Electronic Band Structure and Microstructure of Textured Materials
DOI:10.1007/s11664-009-1059-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:10  AU: Jacquot, A.;Farag, N.;Jaegle, M.;Bobeth, M.;Schmidt, J.;Ebling, D.;Boettner, H.;
19:178:5     Generation of Nanosized Particles during Mechanical Alloying and Their Evolution through the Hot Extrusion Process in Bismuth-Telluride-Based Alloys
DOI:10.1007/s11664-009-1055-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:10  AU: Vasilevskiy, D.;Dawood, M. S.;Masse, J. -P.;Turenne, S.;Masut, R. A.;
19:178:6     Nanostructure Characterization of Bismuth Telluride-Based Powders and Extruded Alloys by Various Experimental Methods
DOI:10.1007/s11664-011-1528-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Vasilevskiy, D.;Bourbia, O.;Gosselin, S.;Turenne, S.;Masut, R. A.;
19:178:7     Thermoelectric Properties of Sintered n-Type and p-Type Tellurides
DOI:10.1007/s11664-012-2408-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:0  AU: Hassel, J.;Tervo, J.;
19:179:1:1     Interplay between intramolecular and intermolecular structures of 1,1,2,2-tetrachloro-1,2-difluoroethane
DOI:10.1103/PhysRevB.84.064202  JN:PHYSICAL REVIEW B  PY:2011
  TC:7  AU: Rovira-Esteva, M.;Murugan, N. A.;Pardo, L. C.;Busch, S.;Tamarit, J. Ll.;Pothoczki, Sz.;Cuello, G. J.;Bermejo, F. J.;
19:179:1:2     Microscopic structures and dynamics of high- and low-density liquid trans-1,2-dichloroethylene
DOI:10.1103/PhysRevB.81.092202  JN:PHYSICAL REVIEW B  PY:2010
  TC:9  AU: Rovira-Esteva, M.;Murugan, A.;Pardo, L. C.;Busch, S.;Ruiz-Martin, M. D.;Appavou, M. -S.;Tamarit, J. Ll.;Smuda, C.;Unruh, T.;Bermejo, F. J.;Cuello, G. J.;Rzoska, S. J.;
19:179:1:3     Role of steric and electrostatic effects in the short-range order of quasitetrahedral molecular liquids
DOI:10.1103/PhysRevB.85.014202  JN:PHYSICAL REVIEW B  PY:2012
  TC:8  AU: Pothoczki, Sz;Ottochian, A.;Rovira-Esteva, M.;Pardo, L. C.;Tamarit, J. Ll.;Cuello, G. J.;
19:179:1:4     Local order and orientational correlations in liquid and crystalline phases of carbon tetrabromide from neutron powder diffraction measurements
DOI:10.1103/PhysRevB.81.134101  JN:PHYSICAL REVIEW B  PY:2010
  TC:11  AU: Temleitner, L.;Pusztai, L.;
19:179:1:5     Microscopic structures and dynamics of high- and low-density liquid trans-1,2-dichloroethylene (vol 81, 092202, 2010)
DOI:10.1103/PhysRevB.81.099908  JN:PHYSICAL REVIEW B  PY:2010
  TC:0  AU: Rovira-Esteva, M.;Murugan, A.;Pardo, L. C.;Busch, S.;Ruiz-Martin, M. D.;Appavou, M. -S.;Tamarit, J. Ll.;Smuda, C.;Unruh, T.;Bermejo, F. J.;Cuello, G. J.;Rzoska, S. J.;
19:179:2:1     Why are Nonlinear Fits to Data so Challenging?
DOI:10.1103/PhysRevLett.104.060201  JN:PHYSICAL REVIEW LETTERS  PY:2010
  TC:21  AU: Transtrum, Mark K.;Machta, Benjamin B.;Sethna, James P.;
19:179:2:2     Model Reduction by Manifold Boundaries
DOI:10.1103/PhysRevLett.113.098701  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:0  AU: Transtrum, Mark K.;Qiu, Peng;
19:179:3:1     Simple Predictions from Multifield Inflationary Models
DOI:10.1103/PhysRevLett.112.161302  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:7  AU: Easther, Richard;Frazer, Jonathan;Peiris, Hiranya V.;Price, Layne C.;
19:179:3:2     Multifield Inflation after Planck: The Case for Nonminimal Couplings
DOI:10.1103/PhysRevLett.112.011302  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:8  AU: Kaiser, David I.;Sfakianakis, Evangelos I.;
19:179:3:3     Higgs Inflation is Still Alive after the Results from BICEP2
DOI:10.1103/PhysRevLett.112.241301  JN:PHYSICAL REVIEW LETTERS  PY:2014
  TC:14  AU: Hamada, Yuta;Kawai, Hikaru;Oda, Kin-ya;Park, Seong Chan;
19:180:1     Effects of Second Phase Yb5Sb3 on the Thermoelectric Properties of YbAl3
DOI:10.1007/s11664-014-2997-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Li, J. Q.;Liu, X. Y.;Li, Y.;Deng, J. F.;Ye, R. F.;Song, S. H.;Liu, F. S.;Ao, W. Q.;
19:180:2     Effect of addition of B or C on thermoelectric properties of heavy fermion intermetallic compound YbAl3
DOI:10.1016/j.jallcom.2011.10.017  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:5  AU: Katsuyama, Shigeru;Suzuki, Miho;Tanaka, Toshihiro;
19:180:3     Thermoelectric Properties of Yb1-x (Er,Lu) (x) Al-3 Solid Solutions
DOI:10.1007/s11664-012-2401-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:5  AU: Lehr, Gloria J.;Morelli, Donald T.;
19:180:4     Cost-Efficient Preparation and Enhanced Thermoelectric Performance of Bi0.48Sb1.52Te3 Bulk Materials with Micro- and Nanostructures
DOI:10.1007/s11664-013-2857-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Zhu, Wan-Ting;Zhao, Wen-Yu;Zhou, Hong-Yu;Yu, Jian;Tang, Ding-Guo;Liu, Zhi-Yuan;Zhang, Qing-Jie;
19:180:5     Influence of Sn substitution on the thermoelectric properties in YbAl3
DOI:10.1016/j.jallcom.2014.02.112  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Li, J. Q.;Liu, X. Y.;Li, Y.;Song, S. H.;Liu, F. S.;Ao, W. Q.;
19:180:6     Transport properties of the YbAl3 compound: On the energy scales of YbAl3 from thermopower data
DOI:10.1016/j.jallcom.2011.04.057  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:3  AU: Ocko, Miroslav;Zonja, Sanja;Aviani, Ivica;Bauer, E. D.;Sarrao, J. L.;
19:180:7     Enhanced thermoelectric power factor in Yb1-xScxAl2 alloys using chemical pressure tuning of the Yb valence
DOI:10.1063/1.4842795  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Lehr, Gloria J.;Morelli, Donald T.;Jin, Hyungyu;Heremans, Joseph P.;
19:181:1     Thermoelectric Properties of PbTe, SnTe, and GeTe at High Pressure: an Ab Initio Study
DOI:10.1007/s11664-010-1491-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:15  AU: Xu, Lanqing;Wang, Hui-Qiong;Zheng, Jin-Cheng;
19:181:2     Liquidus projection and phase equilibria isothermal section of Se-Sn-Te system
DOI:10.1016/j.jallcom.2012.08.071  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:4  AU: Chen, Chung-yi;Wu, Hsin-jay;Chen, Sinn-wen;
19:181:3     Microstructure and thermoelectric properties of Sn-doped Bi2Te2.7Se0.3 thin films deposited by flash evaporation method
DOI:10.1016/j.tsf.2010.11.013  JN:THIN SOLID FILMS  PY:2011
  TC:9  AU: Duan, X. K.;Jiang, Y. Z.;
19:181:4     Thermoelectric Properties of Polycrystalline Thin Films Under an External Magnetic Field
DOI:10.1007/s11664-011-1801-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Gao, Yuan-Wen;Jia, Xiao-Dong;
19:181:5     Thermoelectric Properties of Ag-doped Mg2Ge Thin Films Prepared by Magnetron Sputtering
DOI:10.1007/s11664-009-1052-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:3  AU: Chuang, L.;Savvides, N.;Tan, T. T.;Li, S.;
19:182:1     Materials for Vehicular Thermoelectric Generators
DOI:10.1007/s11664-012-1982-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:6  AU: Anatychuk, L. I.;Kuz, R. V.;
19:182:2     Segmented Generator Modules Using Bi2Te3-Based Materials
DOI:10.1007/s11664-010-1468-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:4  AU: Anatychuk, L. I.;Vikhor, L. N.;Strutynska, L. T.;Termena, I. S.;
19:182:3     Thermoelectric Generator for a Stationary Diesel Plant
DOI:10.1007/s11664-011-1600-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:5  AU: Anatychuk, L. I.;Rozver, Yu. Yu.;Velichuk, D. D.;
19:182:4     Numerical Simulation of Performance and Thermomechanical Behavior of Thermoelectric Modules with Segmented Bismuth-Telluride-Based Legs
DOI:10.1007/s11664-012-2435-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:4  AU: Picard, M.;Turenne, S.;Vasilevskiy, D.;Masut, R. A.;
19:182:5     Thermoelectric Properties of Ca-Filled CoSb3-Based Skutterudites Synthesized by Mechanical Alloying
DOI:10.1007/s11664-010-1400-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:3  AU: Park, Kwan-Ho;Kim, Il-Ho;
19:182:6     Thermoelectric Power Generation System for Future Hybrid Vehicles Using Hot Exhaust Gas
DOI:10.1007/s11664-011-1569-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:10  AU: Kim, Sun-Kook;Won, Byeong-Cheol;Rhi, Seok-Ho;Kim, Shi-Ho;Yoo, Jeong-Ho;Jang, Ju-Chan;
19:182:7     Theoretical and Experimental Study of Thermoelectric Generators for Vehicles
DOI:10.1007/s11664-011-1547-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:4  AU: Anatychuk, L. I.;Luste, O. J.;Kuz, R. V.;
19:183:1     Thermoelectric Properties of Nanocrystalline PbTe Synthesized by Mechanical Alloying
DOI:10.1007/s11664-010-1234-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:6  AU: Papageorgiou, Ch.;Hatzikraniotis, E.;Lioutas, Ch. B.;Frangis, N.;Valassiades, O.;Paraskevopoulos, K. M.;Kyratsi, Th.;
19:183:2     Low-Temperature Synthesis and Thermoelectric Properties of n-Type PbTe
DOI:10.1007/s11664-012-2469-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Papageorgiou, Ch.;Giapintzakis, J.;Kyratsi, Th.;
19:183:3     Sintering behaviour and microstructures of nanostructured ZnO-ZnS core-shell powder by spark plasma sintering
DOI:10.1080/14786435.2013.825054  JN:PHILOSOPHICAL MAGAZINE  PY:2013
  TC:2  AU: Nam, Woo Hyun;Lim, Young Soo;Seo, Won-Seon;Lee, Jeong Yong;
19:183:4     Seebeck and thermal conductivity analysis in amorphous/crystalline beta-K2Bi8Se13 nanocomposite materials
DOI:10.1063/1.3610393  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:5  AU: Kyratsi, Th.;Hatzikraniotis, E.;Ioannou, M.;Chung, D. Y.;Tsiaoussis, I.;
19:183:5     Design of Ball-Milling Experiments on Bi2Te3 Thermoelectric Material
DOI:10.1007/s11664-012-2362-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:2  AU: Kanatzia, A.;Papageorgiou, Ch.;Lioutas, Ch.;Kyratsi, Th.;
19:183:6     Effect of Nanopowders Addition on the Thermoelectric Properties of n-Type Bi2Te3 Nanocomposites
DOI:10.1080/10584587.2011.576164  JN:INTEGRATED FERROELECTRICS  PY:2011
  TC:1  AU: Fan, X. A.;Li, G. Q.;Zhong, W.;Duan, X. K.;Yang, J. Y.;
19:183:7     Thermoelectric Properties of Hot-Pressed beta-K2Bi8Se13-x S (x) Materials
DOI:10.1007/s11664-012-2331-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Kyratsi, Theodora;Ioannou, Maria;
19:184:1     Growth and characterization of LuAs films and nanostructures
DOI:10.1063/1.4757605  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:3  AU: Krivoy, E. M.;Nair, H. P.;Crook, A. M.;Rahimi, S.;Maddox, S. J.;Salas, R.;Ferrer, D. A.;Dasika, V. D.;Akinwande, D.;Bank, S. R.;
19:184:2     Suppression of planar defects in the molecular beam epitaxy of GaAs/ErAs/GaAs heterostructures
DOI:10.1063/1.3626035  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:4  AU: Crook, Adam M.;Nair, Hari P.;Ferrer, Domingo A.;Bank, Seth R.;
19:184:3     Temperature dependence of the electrical resistivity of LaxLu1-xAs
DOI:10.1063/1.4817830  JN:AIP ADVANCES  PY:2013
  TC:0  AU: Rahimi, S.;Krivoy, E. M.;Lee, J.;Michael, M. E.;Bank, S. R.;Akinwande, D.;
19:184:4     Growth and characterization of single crystal rocksalt LaAs using LuAs barrier layers
DOI:10.1063/1.4766945  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:2  AU: Krivoy, E. M.;Rahimi, S.;Nair, H. P.;Salas, R.;Maddox, S. J.;Ironside, D. J.;Jiang, Y.;Dasika, V. D.;Ferrer, D. A.;Kelp, G.;Shvets, G.;Akinwande, D.;Bank, S. R.;
19:184:5     First principles study of structural, electronic and elastic properties of lutatium mono-pnictides
DOI:10.1016/j.commatsci.2010.09.016  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2010
  TC:5  AU: Pagare, Gitanjali;Chouhan, Sunil Singh;Soni, Pooja;Sanyal, S. P.;Rajagopalan, M.;
19:184:6     Electron transport and magnetic properties of semimetallic LuAs
DOI:10.1016/j.jallcom.2013.10.175  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Zogal, O.;Wawryk, R.;Matusiak, M.;Henkie, Z.;
19:185:1     Thermoelectric properties of n-type 95%Bi2Te3-5%Bi2Se3 compounds fabricated by gas-atomization and spark plasma sintering
DOI:10.1016/j.jallcom.2013.05.163  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:8  AU: Kim, Hyo-Seob;Hong, Soon-Jik;
19:185:2     Effect of Chemical Composition on the Thermoelectric Properties of n-Type Bi2Te3 Alloys Fabricated by Gas Atomization and Hot Extrusion
DOI:10.1007/s11664-014-3077-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Madavali, Babu;Kim, Hyo-Seob;Hong, Soon-Jik;
19:185:3     Microstructural behavior of the heat treated n-type 95% Bi2Te3-5% Bi2Se3 gas atomized thermoelectric powders
DOI:10.1016/j.jallcom.2010.10.021  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:9  AU: Bhuiyan, Mahedi Hasan;Kim, Taek-Soo;Koo, Jar Myung;Hong, Soon-Jik;
19:185:4     Thermoelectric properties of hydrothermally synthesized Bi2Te3-xSex nanocrystals
DOI:10.1016/j.scriptamat.2012.04.005  JN:SCRIPTA MATERIALIA  PY:2012
  TC:9  AU: Li, D.;Qin, X. Y.;Dou, Y. C.;Li, X. Y.;Sun, R. R.;Wang, Q. Q.;Li, L. L.;Xin, H. X.;Wang, N.;Wang, N. N.;Song, C. J.;Liu, Y. F.;Zhang, J.;
19:185:5     The microstructure and thermoelectric properties of rapid solidified p-type Sb2Te3-25 wt.%Bi2Te3 alloys
DOI:10.1016/j.jallcom.2012.01.112  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:3  AU: Moon, ChulDong;Kim, Taek-Soo;
19:186:1     Al insertion and additive effects on the thermoelectric properties of yttrium boride
DOI:10.1063/1.4869131  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:5  AU: Maruyama, Satofumi;Prytuliak, Anastasiia;Miyazaki, Yuzuru;Hayashi, Kei;Kajitani, Tsuyoshi;Mori, Takao;
19:186:2     Thermoelectric properties and spark plasma sintering of doped YB22C2N
DOI:10.1557/JMR.2010.0100  JN:JOURNAL OF MATERIALS RESEARCH  PY:2010
  TC:11  AU: Berthebaud, David;Nishimura, Toshiyuki;Mori, Takao;
19:186:3     Anomalous effect of vanadium boride seeding on thermoelectric properties of YB22C2N
DOI:10.1016/j.materresbull.2013.01.043  JN:MATERIALS RESEARCH BULLETIN  PY:2013
  TC:3  AU: Prytuliak, A.;Maruyama, S.;Mori, T.;
19:186:4     Effect of Transition-Metal Additives on Thermoelectric Properties of YB22C2N
DOI:10.1007/s11664-010-1437-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:7  AU: Prytuliak, A.;Mori, T.;
19:186:5     Microstructure and Thermoelectric Properties of Dense YB22C2N Samples Fabricated Through Spark Plasma Sintering
DOI:10.1007/s11664-011-1509-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:4  AU: Berthebaud, David;Nishimura, Toshiyuki;Mori, Takao;
19:186:6     An alpha-rhombohedral boron-related compound with sulfur: Synthesis, structure and thermoelectric properties
DOI:10.1016/j.scriptamat.2012.10.044  JN:SCRIPTA MATERIALIA  PY:2013
  TC:3  AU: Sologub, O.;Matsushita, Y.;Mori, T.;
19:186:7     Vanadium Concentration Dependence of Thermoelectric Properties of beta-Rhombohedral Boron Prepared by Spark Plasma Sintering
DOI:10.2320/matertrans.M2010272  JN:MATERIALS TRANSACTIONS  PY:2011
  TC:3  AU: Kim, Hongki;Kimura, Kaoru;
19:187:1     Quantum confinement and spin-orbit interactions in PbSe and PbTe nanowires: First-principles calculation
DOI:10.1103/PhysRevB.84.245324  JN:PHYSICAL REVIEW B  PY:2011
  TC:5  AU: Wrasse, E. O.;Baierle, R. J.;Schmidt, T. M.;Fazzio, A.;
19:187:2     First-principles study of group III impurity doped PbSe: Bulk and nanowire
DOI:10.1103/PhysRevB.87.085428  JN:PHYSICAL REVIEW B  PY:2013
  TC:3  AU: Wrasse, E. O.;Baierle, R. J.;Fazzio, A.;Schmidt, T. M.;
19:187:3     Ab initio study of point defects in PbSe and PbTe: Bulk and nanowire
DOI:10.1063/1.4901640  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Wrasse, E. O.;Venezuela, P.;Baierle, R. J.;
19:187:4     Quantum confinement and spin-orbit interactions in PbSe and PbTe nanowires: First-principles calculation (vol 84, pg 245324, 2011)
DOI:10.1103/PhysRevB.86.039908  JN:PHYSICAL REVIEW B  PY:2012
  TC:0  AU: Wrasse, E. O.;Baierle, R. J.;Schmidt, T. M.;Fazzio, A.;
19:188:1     Effects of point defects on thermal and thermoelectric properties of InN
DOI:10.1063/1.3536507  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:13  AU: Levander, A. X.;Tong, T.;Yu, K. M.;Suh, J.;Fu, D.;Zhang, R.;Lu, H.;Schaff, W. J.;Dubon, O.;Walukiewicz, W.;Cahill, D. G.;Wu, J.;
19:188:2     Effect of macroscopic polarization on thermal conductivity of InN
DOI:10.1016/j.jallcom.2014.03.168  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Sahoo, B. K.;
19:188:3     The macroscopic polarization effect on thermal conductivity of binary nitrides
DOI:10.1063/1.4826615  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:2  AU: Sahoo, S. K.;Sahoo, B. K.;Sahoo, S.;
19:188:4     Effect of piezoelectric polarization on phonon group velocity in nitride wurtzites
DOI:10.1007/s10853-011-6087-2  JN:JOURNAL OF MATERIALS SCIENCE  PY:2012
  TC:9  AU: Sahoo, Bijay Kumar;
19:189:1     Thermal and mechanical properties of sorbitol-based epoxy resin cured with quercetin and the biocomposites with wood flour
DOI:10.1002/app.38438  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2013
  TC:7  AU: Shibata, Mitsuhiro;Yoshihara, Satoru;Yashiro, Mio;Ohno, Yukito;
19:189:2     Synthesis of Epoxy Resins from Alcohol-Liquefied Wood and the Mechanical Properties of the Cured Resins
DOI:10.1002/app.33199  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2011
  TC:21  AU: Kishi, Hajime;Akamatsu, Yuki;Noguchi, Masayuki;Fujita, Akira;Matsuda, Satoshi;Nishida, Hirofumi;
19:189:3     Preparation and properties of biocomposites composed of sorbitol-based epoxy resin, tung oil-pyrogallol resin, and wood flour
DOI:10.1002/app.38739  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2013
  TC:2  AU: Shibata, Mitsuhiro;Teramoto, Naozumi;Yoshihara, Satoru;Itakura, Yusuke;
19:189:4     Preparation and Properties of Biocomposites Composed of Epoxidized Soybean Oil, Tannic Acid, and Microfibrillated Cellulose
DOI:10.1002/app.33082  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2011
  TC:10  AU: Shibata, Mitsuhiro;Teramoto, Naozumi;Makino, Kyohei;
19:189:5     Preparation and Properties of Biocomposites Composed of Glycerol-Based Epoxy Resins, Tannic Acid, and Wood Flour
DOI:10.1002/app.32695  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2010
  TC:6  AU: Shibata, Mitsuhiro;Teramoto, Naozumi;Takada, Yoshiro;Yoshihara, Satoru;
19:189:6     Time-Temperature-Transformation Cure Diagrams of Phenol-Formaldehyde and Lignin-Phenol-Formaldehyde Novolac Resins
DOI:10.1002/app.32866  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2011
  TC:7  AU: Perez, J. M.;Rodriguez, F.;Alonso, M. V.;Oliet, M.;
19:189:7     Synthesis and characterization of emulsion-type curing agent of water-borne epoxy resin
DOI:10.1002/app.39485  JN:JOURNAL OF APPLIED POLYMER SCIENCE  PY:2013
  TC:0  AU: Sun, Haixiang;Ni, Weiliang;Yuan, Bingbing;Wang, Tiantian;Li, Peng;Liu, Yunqi;Wang, Lintong;
19:190:1     Gold-titania interface toughening and thermal conductance enhancement using an organophosphonate nanolayer
DOI:10.1063/1.4807436  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:1  AU: Chow, Philippe K.;Quintero, Y. Cardona;O'Brien, Peter;Mutin, P. Hubert;Lane, Michael;Ramprasad, R.;Ramanath, Ganpati;
19:190:2     Tuning of noble metal work function with organophosphonate nanolayers
DOI:10.1063/1.4890486  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Ramanath, Ganpati;Kwan, Matthew;Chow, P. K.;Quintero, Y. Cardona;Mutin, P. H.;Ramprasad, R.;
19:190:3     Atomistic fracture energy partitioning at a metal-ceramic interface using a nanomolecular monolayer
DOI:10.1103/PhysRevB.83.035412  JN:PHYSICAL REVIEW B  PY:2011
  TC:4  AU: Jain, Ashutosh;Singh, Binay;Garg, Saurabh;Ravishankar, N.;Lane, Michael;Ramanath, Ganpati;
19:190:4     Atomistic mechanisms of moisture-induced fracture at copper-silica interfaces
DOI:10.1063/1.3622304  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:3  AU: Vijayashankar, Dandapani;Zhu, Hong;Garg, Saurabh;Teki, Ranganath;Ramprasad, R.;Lane, Michael W.;Ramanath, Ganpati;
19:190:5     Metal-dielectric interface toughening by molecular nanolayer decomposition
DOI:10.1063/1.3437648  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:4  AU: Garg, Saurabh;Jain, Ashutosh;Karthik, C.;Singh, Binay;Teki, Ranganath;Smentkowski, V. S.;Lane, Michael W.;Ramanath, Ganpati;
19:190:6     Factorial toughening at microcorrugated metal-ceramic interfaces
DOI:10.1063/1.3618670  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:2  AU: Garg, Saurabh;Teki, Ranganath;Lane, Michael W.;Ramanath, Ganpati;
19:190:7     Adsorption of CH3S and CF3S on Pt(111) surface: a density functional theory study
DOI:10.1007/s10853-012-7005-y  JN:JOURNAL OF MATERIALS SCIENCE  PY:2013
  TC:1  AU: Quintero, Y. Cardona;Zhu, H.;Ramprasad, R.;
19:191:1     Thermal conductivity of layered borides: The effect of building defects on the thermal conductivity of TmAlB4 and the anisotropic thermal conductivity of AlB2
DOI:10.1063/1.4871797  JN:APL MATERIALS  PY:2014
  TC:3  AU: Wang, X. J.;Mori, T.;Kuzmych-Ianchuk, I.;Michiue, Y.;Yubuta, K.;Shishido, T.;Grin, Y.;Okada, S.;Cahill, D. G.;
19:191:2     Excellent p-n control in a high temperature thermoelectric boride
DOI:10.1063/1.4758297  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:11  AU: Maruyama, Satofumi;Miyazaki, Yuzuru;Hayashi, Kei;Kajitani, Tsuyoshi;Mori, Takao;
19:191:3     High-resolution electron microscopy and X-ray diffraction study of intergrowth structures in alpha- and beta-type YbAlB4 single crystals
DOI:10.1080/14786435.2012.741727  JN:PHILOSOPHICAL MAGAZINE  PY:2013
  TC:3  AU: Yubuta, Kunio;Mori, Takao;Okada, Shigeru;Prots, Yurii;Borrmann, Horst;Grin, Yuri;Shishido, Toetsu;
19:191:4     Physical properties of beta-TmAlB4; an AlB2-type analogous "tiling" compound
DOI:10.1063/1.3365067  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:4  AU: Mori, T.;Shishido, T.;Yubuta, K.;Nakajima, K.;Leithe-Jasper, A.;Grin, Yu.;
19:191:5     f-electron dependence of the physical properties of REAlB4; an AlB2-type analogous "tiling" compound
DOI:10.1063/1.3536660  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:1  AU: Mori, T.;Kudou, K.;Shishido, T.;Okada, S.;
19:191:6     Direct elucidation of the effect of building defects on the physical properties of alpha-TmAlB4; An AlB2-type analogous "tiling" compound
DOI:10.1063/1.3674285  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Mori, T.;Kuzmych-Ianchuk, I.;Yubuta, K.;Shishido, T.;Okada, S.;Kudou, K.;Grin, Y.;
19:191:7     Zero field magnetic phase transitions and anomalous low temperature upturn in resistivity of single crystalline alpha-TmAlB4
DOI:10.1063/1.3367975  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:1  AU: Sung, N. H.;Kreyssig, A.;Kim, H.;Tanatar, M. A.;Rhyee, J. S.;Kang, B. Y.;Kim, M. G.;Kim, J. Y.;Canfield, P. C.;Prozorov, R.;Goldman, A. I.;Cho, B. K.;
19:191:8     Strong magnetic coupling in a magnetically dilute f-electron insulator: A dysprosium boron-cluster compound
DOI:10.1063/1.4800945  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Mori, T.;Sahara, R.;Kawazoe, Y.;Yubuta, K.;Shishido, T.;Grin, Y.;
19:192:1     New Configurations of Micro Plate-Fin Heat Sink to Reduce Coolant Pumping Power
DOI:10.1007/s11664-011-1887-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Rezania, A.;Rosendahl, L. A.;
19:192:2     Evaluating Thermoelectric Power Generation Device Performance Using a Rectangular Microchannel Heat Sink
DOI:10.1007/s11664-011-1622-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:8  AU: Rezania, A.;Rosendahl, L. A.;
19:192:3     Optimization of the Heat Exchangers of a Thermoelectric Generation System
DOI:10.1007/s11664-010-1291-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:9  AU: Martinez, A.;Vian, J. G.;Astrain, D.;Rodriguez, A.;Berrio, I.;
19:192:4     Computational Optimization of a Thermoelectric Ice-Maker as a Function of the Geometric Parameters of a Peltier Module
DOI:10.1007/s11664-010-1134-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:2  AU: Vian, J. G.;Astrain, D.;Rodriguez, A.;Martinez, A.;
19:192:5     Thermoelectrics: Impacts on the Environment and Sustainability
DOI:10.1007/s11664-009-1013-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:5  AU: Patyk, Andreas;
19:192:6     Computational Study on the Thermal Influence of the Components of a Thermoelectric Ice Maker on Ice Production
DOI:10.1007/s11664-011-1814-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:0  AU: Rodriguez, A.;Astrain, D.;Martinez, A.;Vian, J. G.;
19:192:7     Thermal Effect of Ceramic Substrate on Heat Distribution in Thermoelectric Generators
DOI:10.1007/s11664-012-1939-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Rezania, A.;Rosendahl, L. A.;
19:192:8     Optimized thermal coupling of micro thermoelectric generators for improved output performance
DOI:10.1016/j.renene.2013.06.031  JN:RENEWABLE ENERGY  PY:2013
  TC:5  AU: Wojtas, N.;Ruethemann, L.;Glatz, W.;Hierold, C.;
19:193:1:1     Monte Carlo study of magnetic resistivity in semiconducting MnTe
DOI:10.1103/PhysRevB.85.184413  JN:PHYSICAL REVIEW B  PY:2012
  TC:3  AU: Magnin, Y.;Diep, H. T.;
19:193:1:2     Theory and simulation of spin transport in antiferromagnetic semiconductors: Application to MnTe
DOI:10.1103/PhysRevB.84.024428  JN:PHYSICAL REVIEW B  PY:2011
  TC:2  AU: Akabli, K.;Magnin, Y.;Oko, Masataka;Harada, Isao;Diep, H. T.;
19:193:1:3     Spin resistivity in frustrated antiferromagnets
DOI:10.1103/PhysRevB.83.144406  JN:PHYSICAL REVIEW B  PY:2011
  TC:5  AU: Magnin, Y.;Akabli, K.;Diep, H. T.;
19:193:1:4     Monte Carlo study of the spin transport in magnetic materials
DOI:10.1016/j.commatsci.2010.02.011  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2010
  TC:6  AU: Magnin, Y.;Akabli, K.;Diep, H. T.;Harada, I.;
19:193:2:1     Thermoelectric study of crossroads material MnTe via sulfur doping
DOI:10.1063/1.4868584  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Xie, Wenjie;Populoh, Sascha;Galazka, Krzysztof;Xiao, Xingxing;Sagarna, Leyre;Liu, Yufei;Trottmann, Matthias;He, Jian;Weidenkaff, Anke;
19:193:2:2     Effect of adding Cr on magnetic properties and metallic behavior in MnTe film
DOI:10.1016/j.tsf.2012.08.018  JN:THIN SOLID FILMS  PY:2012
  TC:2  AU: Wang, Z. H.;Geng, D. Y.;Gong, W. J.;Li, J.;Li, Y. B.;Zhang, Z. D.;
19:194:1     Mechanical properties of BixSb2-xTe3 nanostructured thermoelectric material
DOI:10.1088/0957-4484/23/6/065703  JN:NANOTECHNOLOGY  PY:2012
  TC:7  AU: Li, G.;Gadelrab, K. R.;Souier, T.;Potapov, P. L.;Chen, G.;Chiesa, M.;
19:194:2     Nanoscale characterization of the biomechanical properties of collagen fibrils in the sclera
DOI:10.1063/1.4868388  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:1  AU: Papi, M.;Paoletti, P.;Geraghty, B.;Akhtar, R.;
19:194:3     Effect of the residual stress on soft sample nanoindentation
DOI:10.1063/1.4801428  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:4  AU: Boccaccio, Antonio;Papi, Massimiliano;De Spirito, Marco;Lamberti, Luciano;Pappalettere, Carmine;
19:194:4     Numerically assisted nanoindentation analysis
DOI:10.1016/j.msea.2012.09.066  JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES  PY:2013
  TC:3  AU: Gadelrab, K. R.;Chiesa, M.;
19:194:5     Viscous forces are predominant in the zona pellucida mechanical resistance
DOI:10.1063/1.4789503  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:5  AU: Papi, Massimiliano;Maiorana, Alessandro;Douet, Cecile;Maulucci, Giuseppe;Parasassi, Tiziana;Brunelli, Roberto;Goudet, Ghylene;De Spirito, Marco;
19:194:6     Nanoscale characterization of the biomechanical properties of collagen fibrils in the sclera (vol 104, 103703, 2004)
DOI:10.1063/1.4869960  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Papi, M.;Paoletti, P.;Geraghty, B.;Akhtar, R.;
19:195:1     Metal-insulator transitions and magnetism in correlated band insulators: FeSi and Fe1-xCoxSi
DOI:10.1103/PhysRevB.81.125131  JN:PHYSICAL REVIEW B  PY:2010
  TC:10  AU: Mazurenko, V. V.;Shorikov, A. O.;Lukoyanov, A. V.;Kharlov, K.;Gorelov, E.;Lichtenstein, A. I.;Anisimov, V. I.;
19:195:2     Variational study of the magnetically induced metal-insulator transition in FeSi1-xGex
DOI:10.1103/PhysRevB.84.195144  JN:PHYSICAL REVIEW B  PY:2011
  TC:3  AU: Imriska, J.;Hlubina, R.;
19:195:3     Residual resistivity of FeGe under pressure
DOI:10.1103/PhysRevB.88.165125  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Dian, M.;Hlubina, R.;
19:195:4     Minimal model of the magnetically induced metal-insulator transition: Finite-temperature properties
DOI:10.1103/PhysRevB.89.155127  JN:PHYSICAL REVIEW B  PY:2014
  TC:0  AU: Dian, M.;Hlubina, R.;
19:195:5     Spin excitations of the correlated semiconductor FeSi probed by THz radiation
DOI:10.1103/PhysRevB.84.073108  JN:PHYSICAL REVIEW B  PY:2011
  TC:2  AU: Glushkov, V. V.;Gorshunov, B. P.;Zhukova, E. S.;Demishev, S. V.;Pronin, A. A.;Sluchanko, N. E.;Kaiser, S.;Dressel, M.;
19:196:1     High quality Mg2Sn crystals prepared by RF induction melting
DOI:10.1016/j.jcrysgro.2010.05.011  JN:JOURNAL OF CRYSTAL GROWTH  PY:2010
  TC:10  AU: Chen, H. Y.;Savvides, N.;
19:196:2     Doping Effects on Thermoelectric Properties in the Mg2Sn System
DOI:10.1007/s11664-012-1985-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:5  AU: Choi, Soon-Mok;An, Tae Ho;Seo, Won-Seon;Park, Chan;Kim, Il-Ho;Kim, Sun-Uk;
19:196:3     Eutectic Microstructure and Thermoelectric Properties of Mg2Sn
DOI:10.1007/s11664-010-1150-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:7  AU: Chen, H. Y.;Savvides, N.;
19:196:4     Thermal Conductivity and Other Transport Properties of Mg2Sn:Ag Crystals
DOI:10.1007/s11664-009-0978-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:9  AU: Savvides, N.;Chen, H. Y.;
19:196:5     Thermoelectric properties of a doped Mg2Sn system
DOI:10.1016/j.renene.2011.09.030  JN:RENEWABLE ENERGY  PY:2012
  TC:6  AU: An, Tae-Ho;Choi, Soon-Mok;Kim, Il-Ho;Kim, Sun-Uk;Seo, Won-Seon;Kim, Jong-Young;Park, Chan;
19:197:1     Silicon clathrates as anode materials for lithium ion batteries?
DOI:10.1039/c3ta11050h  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:9  AU: Yang, Jianjun;Tse, John S.;
19:197:2     B1-Mobilstor: Materials for Sustainable Energy Storage Techniques - Lithium Containing Compounds for Hydrogen and Electrochemical Energy Storage
DOI:10.1002/adem.201400182  JN:ADVANCED ENGINEERING MATERIALS  PY:2014
  TC:0  AU: Boehme, Bodo;Minella, Christian Bonatto;Thoss, Franziska;Lindemann, Inge;Rosenburg, Martin;Pistidda, Claudio;Moller, Kasper T.;Jensen, Torben R.;Giebeler, Lars;Baitinger, Michael;Gutfleisch, Oliver;Ehrenberg, Helmut;Eckert, Juergen;Grin, Yuri;Schultz, Ludwig;
19:197:3     High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages
DOI:10.1021/ja502733e  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2014
  TC:2  AU: Yamanaka, Shoji;Komatsu, Masaya;Tanaka, Masashi;Sawa, Hiroshi;Inumaru, Kei;
19:197:4     Ab initio lattice dynamical studies of silicon clathrate frameworks and their negative thermal expansion
DOI:10.1103/PhysRevB.89.024305  JN:PHYSICAL REVIEW B  PY:2014
  TC:1  AU: Harkonen, Ville J.;Karttunen, Antti J.;
19:197:5     Synthesis and Electron Holography Studies of Single Crystalline Nanostructures of Clathrate-II Phases KxGe136 and NaxSi136
DOI:10.1021/ja201728v  JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY  PY:2011
  TC:4  AU: Simon, Paul;Tang, Zhongjia;Carrillo-Cabrera, Wilder;Chiong, Katherine;Boehme, Bodo;Baitinger, Michael;Lichte, Hannes;Grin, Yuri;Guloy, Arnold M.;
19:197:6     First-principles computational design and synthesis of hybrid carbon-silicon clathrates
DOI:10.1007/s10853-013-7973-6  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:1  AU: Chan, Kwai S.;Miller, Michael A.;Liang, Wuwei;Ellis-Terrell, Carol;Peng, Xihong;
19:198:1:1     Low-voltage electro-absorption optical modulator based on slow-light Bragg reflector waveguide
DOI:10.1063/1.4789533  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:6  AU: Gu, Xiaodong;Shimizu, Shoki;Shimada, Toshikazu;Matsutani, Akihiro;Koyama, Fumio;
19:198:1:2     Beam steering in GaInAs/GaAs slow-light Bragg reflector waveguide amplifier
DOI:10.1063/1.3664118  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:12  AU: Gu, Xiaodong;Shimada, Toshikazu;Fuchida, Ayumi;Matsutani, Akihiro;Imamura, Akihiro;Koyama, Fumio;
19:198:1:3     Low polarization dependent beam deflector based on Bragg reflector waveguide for C-band wavelength demultiplexing
DOI:10.1063/1.4828715  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Gu, Xiaodong;Matsutani, Akihiro;Koyama, Fumio;
19:198:2:1     Athermal and tunable operations of 850nm vertical cavity surface emitting lasers with thermally actuated T-shape membrane structure
DOI:10.1063/1.4753807  JN:APPLIED PHYSICS LETTERS  PY:2012
  TC:6  AU: Sano, Hayato;Nakata, Norihiko;Nakahama, Masanori;Matsutani, Akihiro;Koyama, Fumio;
19:198:2:2     29 GHz directly modulated 980 nm vertical-cavity surface emitting lasers with bow-tie shape transverse coupled cavity
DOI:10.1063/1.4820149  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:10  AU: Dalir, Hamed;Koyama, Fumio;
19:198:2:3     Athermalization and on-chip multi-wavelength integration of VCSELs employing thermally actuated micromachined mirrors
DOI:10.1063/1.4895337  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Nakahama, M.;Sakaguchi, T.;Matsutani, A.;Koyama, F.;
19:198:2:4     Compact electro-absorption modulator integrated with vertical-cavity surface-emitting laser for highly efficient millimeter-wave modulation
DOI:10.1063/1.4894716  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Dalir, Hamed;Ahmed, Moustafa;Bakry, Ahmed;Koyama, Fumio;
19:199:1     Structure and properties of PbS films
DOI:10.1016/j.jallcom.2013.03.290  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:11  AU: Sadovnikov, S. I.;Gusev, A. I.;
19:199:2     Chemical deposition of nanocrystalline lead sulfide powders with controllable particle size
DOI:10.1016/j.jallcom.2013.10.008  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:7  AU: Sadovnikov, S. I.;Gusev, A. I.;
19:199:3     Effect of particle size on the thermal expansion of nanostructured lead sulfide films
DOI:10.1016/j.jallcom.2014.04.220  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Sadovnikov, S. I.;Gusev, A. I.;
19:199:4     Thermal expansion of a lead sulfide nanofilm
DOI:10.1016/j.tsf.2013.09.079  JN:THIN SOLID FILMS  PY:2013
  TC:6  AU: Sadovnikov, S. I.;Kozhevnikova, N. S.;Rempel, A. A.;Magerl, A.;
19:199:5     Excellent Vacuum Tribological Properties of Pb/PbS Film Deposited by Rf Magnetron Sputtering and Ion Sulfurizing
DOI:10.1021/am404588q  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:3  AU: Ma Guozheng;Xu Binshi;Wang Haidou;Chen Shuying;Xing Zhiguo;
19:200:1     Combined Jonker and Ioffe Analysis of Oxide Conductors and Semiconductors
DOI:10.1111/j.1551-2916.2010.04047.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2011
  TC:12  AU: Zhu, Qimin;Hopper, E. Mitchell;Ingram, Brian J.;Mason, Thomas O.;
19:200:2     Impact of interfacial resistance switching on thermoelectric effect of Nb-doped SrTiO3 single crystalline
DOI:10.1063/1.3692606  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Zhang, Peijian;Meng, Yang;Liu, Ziyu;Li, Dong;Su, Tao;Meng, Qingyu;Mao, Qi;Pan, Xinyu;Chen, Dongmin;Zhao, Hongwu;
19:200:3     Thermoelectric Properties of Al-Doped ZnO Thin Films
DOI:10.1007/s11664-014-2992-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Saini, S. L;Mele, P.;Honda, H.;Matsumoto, K.;Miyazaki, K.;Ichinose, A.;
19:200:4     Effect of gallium doping and ball milling process on the thermoelectric performance of n-type ZnO
DOI:10.1557/jmr.2012.220  JN:JOURNAL OF MATERIALS RESEARCH  PY:2012
  TC:0  AU: Jood, Priyanka;Peleckis, Germanas;Wang, Xiaolin;Dou, Shi Xue;
19:201:1     Fabrication and characterization of textured Bi2Te3 thermoelectric thin films prepared on glass substrates at room temperature using pulsed laser deposition
DOI:10.1016/j.jcrysgro.2012.05.045  JN:JOURNAL OF CRYSTAL GROWTH  PY:2013
  TC:4  AU: Yu, Zhenwei;Wang, Xiaolin;Du, Yi;Aminorroaya-Yamni, Sima;Zhang, Chao;Chuang, Kris;Li, Sean;
19:201:2     Structural, optical and electrical properties of Sb2Te3 films prepared by pulsed laser deposition
DOI:10.1016/j.jcrysgro.2015.01.022  JN:JOURNAL OF CRYSTAL GROWTH  PY:2015
  TC:0  AU: Liu, Tantan;Deng, Hongmei;Cao, Huiyi;Zhou, Wenliang;Zhang, Jun;Liu, Jian;Yang, Pingxiong;Chu, Junhao;
19:201:3     Electronic structure and thermoelectric properties of Bi2Te3 crystals and graphene-doped Bi2Te3
DOI:10.1016/j.tsf.2010.03.124  JN:THIN SOLID FILMS  PY:2010
  TC:9  AU: Li, A. H.;Shahbazi, M.;Zhou, S. H.;Wang, G. X.;Zhang, C.;Jood, P.;Peleckis, G.;Du, Y.;Cheng, Z. X.;Wang, X. L.;Kuo, Y. K.;
19:201:4     Pulsed Laser Deposition of Bismuth Telluride Thin Films for Microelectromechanical Systems Thermoelectric Energy Harvesters
DOI:10.1007/s11664-009-1047-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:4  AU: Aziz, Ahmed Abdel;Elsayed, Mohannad;Abu Bakr, Hassan;El-Rifai, Joumana;Van der Donck, Tom;Celis, Jean-Pierre;Leonov, Vladimir;Fiorini, Paolo;Sedky, Sherif;
19:202:1     First-principles calculations of carbon clathrates: Comparison to silicon and germanium clathrates
DOI:10.1103/PhysRevB.82.075209  JN:PHYSICAL REVIEW B  PY:2010
  TC:5  AU: Connetable, Damien;
19:202:2     DFT study of the solubility of hydrogen and carbon in Ni3Nb-D0(a) and Ni3Nb-D0(22) systems
DOI:10.1016/j.jallcom.2014.04.174  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Connetable, Damien;Galliano, Florian;Odemer, Gregory;Blanc, Christine;Andrieu, Eric;
19:202:3     First-principles study on the structural, mechanical and electronic properties of delta and gamma '' phases in Inconel 718
DOI:10.1016/j.commatsci.2010.05.031  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2010
  TC:6  AU: Dai, Songbo;Liu, Wenchang;
19:202:4     First-principles study on the structural, elastic, and thermodynamics properties of Ni3X (X: Al, Mo, Ti, Pt, Si, Nb, V, and Zr) intermetallic compounds
DOI:10.1007/s00339-013-8201-6  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2014
  TC:1  AU: Chen, Qiang;Huang, Zhiwei;Zhao, Zude;Hu, Chuankai;
19:202:5     First-principles studies of the structural, elastic, electronic and thermal properties of Ni3Nb
DOI:10.1016/j.commatsci.2013.04.022  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2013
  TC:5  AU: Cao, Yong;Zhu, Jingchuan;Nong, Zhisheng;Yang, Xiawei;Liu, Yong;Lai, Zhonghong;
19:202:6     Effect of trapping and temperature on the hydrogen embrittlement susceptibility of alloy 718
DOI:10.1016/j.msea.2014.06.015  JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES  PY:2014
  TC:1  AU: Galliano, Florian;Andrieu, Eric;Blanc, Christine;Cloue, Jean-Marc;Connetable, Damien;Odemer, Gregory;
19:203:1     Atomic structure characterization of an incommensurate grain boundary
DOI:10.1016/j.actamat.2013.04.028  JN:ACTA MATERIALIA  PY:2013
  TC:2  AU: Gautam, A.;Ophus, C.;Lancon, F.;Radmilovic, V.;Dahmen, U.;
19:203:2     HAADF study of the relationship between intergranular defect structure and yttrium segregation in an alumina grain boundary
DOI:10.1016/j.actamat.2011.02.025  JN:ACTA MATERIALIA  PY:2011
  TC:7  AU: Lartigue-Korinek, Sylvie;Bouchet, Daniele;Bleloch, Andrew;Colliex, Christian;
19:203:3     A review of some elements in the history of grain boundaries, centered on Georges Friedel, the coincident 'site' lattice and the twin index
DOI:10.1007/s10853-011-5367-1  JN:JOURNAL OF MATERIALS SCIENCE  PY:2011
  TC:8  AU: Duparc, O. B. M. Hardouin;
19:203:4     Atomic structures of Si and Ge sigma=13 [001] tilt grain boundaries studied by high-resolution electron microscopy and atomistic simulations
DOI:10.1080/14786435.2013.780135  JN:PHILOSOPHICAL MAGAZINE  PY:2013
  TC:3  AU: Rouviere, Jean-Luc;Lancon, Frederic;Duparc, Olivier Hardouin;
19:203:5     Silicon Sigma 13(501) grain boundary interface structure determined by bicrystal Bragg rod X-ray scattering
DOI:10.1016/j.actamat.2013.06.011  JN:ACTA MATERIALIA  PY:2013
  TC:0  AU: Howes, P. B.;Rhead, S.;Roy, M.;Nicklin, C. L.;Rawle, J. L.;Norris, C. A.;
19:204:1     Phonon transport in nanowire with contacts: Size and doping
DOI:10.1063/1.4709755  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:2  AU: Li, Jing;Yeung, Tin Cheung Au;Kam, Chan Hin;
19:204:2     Influence of electron scatterings on thermoelectric effect
DOI:10.1063/1.4740235  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Li, Jing;Yeung, Tin Cheung Au;Kam, Chan Hin;
19:204:3     Phonon transport in atomic chains coupled by thermal contacts: The role of buffer layer
DOI:10.1063/1.3359708  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:4  AU: Zhao, Xuean;Li, Jing;Yeung, T. C. Au;Kam, C. H.;Chen, Qing-Hu;Sun, Chang Q.;
19:205:1     Improving the Power Conversion Efficiency of Organic Solar Cell by Blending with CdSe/ZnS Core-Shell Quantum Dots
DOI:10.1007/s11664-014-3187-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Chang, Shang-Chou;Hsiao, Yu-Jen;Li, To-Sing;
19:205:2     Enhancement of thermoelectric properties in nanocrystalline M-Si thin film composites (M = Cr, Mn)
DOI:10.1016/j.jallcom.2012.12.088  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:1  AU: Novikov, S. V.;Burkov, A. T.;Schumann, J.;
19:205:3     Crystallization and Transport Properties of Amorphous Cr-Si Thin Film Thermoelectrics
DOI:10.1007/s11664-014-3101-x  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Novikov, S. V.;Burkov, A. T.;Schumann, J.;
19:205:4     Heat Sinks for Miniature Thermoelectric Coolers: Selection and Characterization
DOI:10.1007/s11664-014-3157-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Semenyuk, V.;
19:206:1     Tunable sideband laser from cascaded four-wave mixing in thin glass for ultra-broadband femtosecond stimulated Raman spectroscopy
DOI:10.1063/1.4817915  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:10  AU: Zhu, Liangdong;Liu, Weimin;Fang, Chong;
19:206:2     In-situ weak-beam and polarization control of multidimensional laser sidebands for ultrafast optical switching
DOI:10.1063/1.4869466  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:4  AU: Liu, Weimin;Wang, Liang;Fang, Chong;
19:206:3     In-situ characterization of femtosecond laser-induced crystallization in borosilicate glass using time-resolved surface third-harmonic generation
DOI:10.1063/1.4831655  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:0  AU: Liu, Weimin;Wang, Liang;Han, Fangyuan;Fang, Chong;
19:206:4     A versatile femtosecond stimulated Raman spectroscopy setup with tunable pulses in the visible to near infrared
DOI:10.1063/1.4891766  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Zhu, Liangdong;Liu, Weimin;Fang, Chong;
19:206:5     Generation of high-energy tunable multicolored femtosecond sidebands directly after a Ti:sapphire femtosecond laser
DOI:10.1063/1.4902122  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:0  AU: Wang, Peng;Liu, Jun;Li, Fangjia;Shen, Xiong;Li, Ruxin;
19:207:1     Minimum thermal conductivity considerations in aerogel thin films
DOI:10.1063/1.4729325  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:7  AU: Hopkins, Patrick E.;Kaehr, Bryan;Piekos, Edward S.;Dunphy, Darren;Brinker, C. Jeffrey;
19:207:2     Density dependence of the room temperature thermal conductivity of atomic layer deposition-grown amorphous alumina (Al2O3)
DOI:10.1063/1.4885415  JN:APPLIED PHYSICS LETTERS  PY:2014
  TC:2  AU: Gorham, Caroline S.;Gaskins, John T.;Parsons, Gregory N.;Losego, Mark D.;Hopkins, Patrick E.;
19:207:3     Contributions of electron and phonon transport to the thermal conductivity of GdFeCo and TbFeCo amorphous rare-earth transition-metal alloys
DOI:10.1063/1.4722231  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Hopkins, Patrick E.;Ding, Manli;Poon, Joseph;
19:207:4     Thin-film aerogel thermal conductivity measurements via 3 omega
DOI:10.1016/j.jnoncrysol.2011.03.042  JN:JOURNAL OF NON-CRYSTALLINE SOLIDS  PY:2011
  TC:7  AU: Bauer, M. L.;Bauer, C. M.;Fish, M. C.;Matthews, R. E.;Garner, G. T.;Litchenberger, A. W.;Norris, P. M.;
19:208:1     Power factor enhancement in Zn-doped Na0.8CoO2
DOI:10.1016/j.jallcom.2011.02.045  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:14  AU: Tsai, P. H.;Zhang, T. S.;Donelson, R.;Tan, T. T.;Li, S.;
19:208:2     Thermoelectric properties of layered Sr0.29CoO2 crystals
DOI:10.1016/j.jallcom.2013.04.131  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2013
  TC:5  AU: Liu, Jinfeng;Huang, Xiangyang;Xu, Guisheng;Chen, Lidong;
19:208:3     The Metal-Insulator Transition of Na0.8Co1-xSmxO2
DOI:10.1080/10584587.2012.687310  JN:INTEGRATED FERROELECTRICS  PY:2012
  TC:1  AU: Sun, Jian;Guo, Zhenping;
19:208:4     Standard enthalpy of formation of NaxCoO2 system
DOI:10.1016/j.jallcom.2012.06.015  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2012
  TC:2  AU: Phapale, S.;Mishra, R.;Mishra, P. K.;
19:208:5     Power factor enhancement in NaxCoO2 doped by Bi
DOI:10.1016/j.jallcom.2013.08.002  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Yang, Xiaoyun;Wang, Xiaohong;Liu, Jun;Hu, Zhiyu;
19:209:1     Rapidly fluctuating orbital occupancy above the orbital ordering transition in spin-gap compounds
DOI:10.1103/PhysRevB.83.165131  JN:PHYSICAL REVIEW B  PY:2011
  TC:5  AU: Rivas-Murias, B.;Zhou, H. D.;Rivas, J.;Rivadulla, F.;
19:209:2     Low-temperature spin excitations in frustrated ZnCr2O4 probed by high-field thermal conductivity
DOI:10.1103/PhysRevB.87.174436  JN:PHYSICAL REVIEW B  PY:2013
  TC:1  AU: Zhou, H. D.;Zhao, Z. Y.;Sun, X. F.;Nieto Suarez, M.;Rivas-Murias, B.;Tsurkan, V.;Deisenhofer, J.;Zapf, V. S.;Rivadulla, F.;
19:209:3     Flux growth and physical properties of Mo3Sb7 single crystals
DOI:10.1103/PhysRevB.87.104515  JN:PHYSICAL REVIEW B  PY:2013
  TC:2  AU: Yan, J. -Q.;McGuire, M. A.;May, A. F.;Cao, H.;Christianson, A. D.;Mandrus, D. G.;Sales, B. C.;
19:209:4     Crystal Structure and High-Temperature Thermoelectric Properties of the Mo3-x Ru (x) Sb-7 Compounds
DOI:10.1007/s11664-009-0981-2  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:3  AU: Candolfi, C.;Leszczynski, J.;Masschelein, P.;Chubilleau, C.;Lenoir, B.;Dauscher, A.;Guilmeau, E.;Hejtmanek, J.;Clarke, S. J.;Smith, R. I.;
19:210:1     Thermoelectric properties of molybdenum oxides LnMo(8)O(14) (Ln = La, Ce, Pr, Nd and Sm)
DOI:10.1016/j.jallcom.2009.09.136  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:4  AU: Xu, Jianxiao;Sonne, Monica;Pryds, Nini;Kleinke, Holger;
19:210:2     High thermoelectric performance of reduced lanthanide molybdenum oxides densified by spark plasma sintering
DOI:10.1016/j.jallcom.2010.03.201  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:1  AU: Xu, Jianxiao;Sonne, Monica;Yanangiya, Shun-ichi;Van Nong, Ngo;Pryds, Nini;Nygren, Mats;Kleinke, Holger;
19:210:3     Thermoelectric properties of AgSbO3 with defect pyrochlore structure
DOI:10.1016/j.jallcom.2009.12.190  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:8  AU: Sang, Hong-Yi;Li, Jing-Feng;
19:210:4     Microstructure and Thermoelectric Properties of AgSbO3 Ceramics Prepared by Ion-Exchange Powder Synthesis and Normal Sintering
DOI:10.1007/s11664-011-1525-0  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:0  AU: Li, Fu;Li, Jing-Feng;
19:211:1     Theoretical Analysis of the Substitutable Metal on the Thermoelectric Performance of CaMnO3
DOI:10.1080/10584587.2014.905070  JN:INTEGRATED FERROELECTRICS  PY:2014
  TC:0  AU: Seetawan, Tosawat;
19:211:2     Evaluating Seebeck coefficient of NaxCoO2 from molecular orbital calculations
DOI:10.1016/j.commatsci.2010.04.013  JN:COMPUTATIONAL MATERIALS SCIENCE  PY:2010
  TC:6  AU: Seetawan, Tosawat;Vora-Ud, Athorn;Chainaronk, Prasarn;Thanachayanont, Chanchana;Amornkitbamrung, Vittaya;
19:211:3     Electronic Structure of Ge-Sb-Te System Calculated by DV-X alpha Method
DOI:10.1080/10584587.2014.905149  JN:INTEGRATED FERROELECTRICS  PY:2014
  TC:1  AU: Vora-Ud, Athorn;Somkhunthot, Weerasak;Seetawan, Tosawat;
19:211:4     Sintering Temperature Dependence of Thermoelectric Performance and Crystal Phase of Calcium Cobalt Oxides
DOI:10.1111/j.1551-2916.2010.04026.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2010
  TC:7  AU: Tahashi, Masahiro;Tanimoto, Tetsuya;Goto, Hideo;Takahashi, Makoto;Ido, Toshiyuki;
19:212:1     Characterization of thin metal films via frequency-domain thermoreflectance
DOI:10.1063/1.3289907  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:16  AU: Schmidt, Aaron J.;Cheaito, Ramez;Chiesa, Matteo;
19:212:2     Spatially Resolved Thermal Conductivity Measurements Using a Thermoreflectance Microprobe
DOI:10.1007/s11664-013-2563-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Neubrand, A.;Dadda, J.;Mueller, E.;Perlt, S.;Hoeche, T.;
19:212:3     Thermal insulating layer on a conducting substrate. Analysis of thermoreflectance experiments
DOI:10.1063/1.3702823  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Fretigny, C.;Duquesne, J. -Y.;Fournier, D.;Xu, F.;
19:212:4     Cross-plane thermal diffusivity measurement of an operating vertical cavity surface emitting laser using thermoreflectance
DOI:10.1063/1.3581089  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:0  AU: Farzaneh, M.;Harris, Alphonse F.;Lebovitz, Adam;
19:212:5     Lateral heat diffusion investigation of a layered structure: Application to the complete thermal characterization of a lithium phosphorous oxynitride film
DOI:10.1063/1.4811520  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:1  AU: Xu, F.;Fretigny, C.;Fournier, D.;Belliard, L.;Vincent, S.;Perrin, B.;Martin, S.;Secouard, C.;Duquesne, J. -Y.;
19:213:1     Thermoelectric properties of tungsten-substituted Heusler Fe2VAl alloy
DOI:10.1063/1.4710990  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:9  AU: Mikami, M.;Kinemuchi, Y.;Ozaki, K.;Terazawa, Y.;Takeuchi, T.;
19:213:2     Effect of Ti Substitution on Thermoelectric Properties of W-Doped Heusler Fe2VAl Alloy
DOI:10.1007/s11664-012-2433-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:3  AU: Mikami, M.;Ozaki, K.;Takazawa, H.;Yamamoto, A.;Terazawa, Y.;Takeuchi, T.;
19:213:3     Evaluation of the Thermoelectric Module Consisting of W-Doped Heusler Fe2VAl Alloy
DOI:10.1007/s11664-013-2910-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:3  AU: Mikami, M.;Mizoshiri, M.;Ozaki, K.;Takazawa, H.;Yamamoto, A.;Terazawa, Y.;Takeuchi, T.;
19:213:4     Doping effects on thermoelectric properties of the off-stoichiometric Heusler compounds Fe2-xV1+xAl
DOI:10.1063/1.4869395  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Nishino, Y.;Tamada, Y.;
19:213:5     Thermoelectric properties of the Heusler-type Fe2VTaxAl1-x alloys
DOI:10.1063/1.4861419  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:0  AU: Renard, Krystel;Mori, Arinori;Yamada, Yuichiro;Tanaka, Suguru;Miyazaki, Hidetoshi;Nishino, Yoichi;
19:214:1     Photothermoelectric effect as a means for thermal characterization of nanocomposites based on intrinsically conducting polymers and carbon nanotubes
DOI:10.1063/1.4788674  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:5  AU: Kuriakose, Maju;Depriester, Michael;King, Roch Chan Yu;Roussel, Frederick;Sahraoui, Abdelhak Hadj;
19:214:2     Photothermal radiometry measurement of thermophysical property change of an ion-irradiated sample
DOI:10.1016/j.mseb.2011.10.014  JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE  PY:2012
  TC:4  AU: Horne, Kyle;Ban, Heng;Mandelis, Andreas;Matvienko, Anna;
19:214:3     Use of Photothermally Generated Seebeck Voltage for Thermal Characterization of Thermoelectric Materials
DOI:10.1007/s11664-013-2853-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Kuriakose, Maju;Depriester, Michael;King, Roch Chan Yu;Roussel, Frederick;Sahraoui, Abdelhak Hadj;
19:215:1     Evolution of the microstructure and mechanical properties of eutectic Fe30Ni20Mn35Al15
DOI:10.1007/s10853-010-5197-6  JN:JOURNAL OF MATERIALS SCIENCE  PY:2011
  TC:4  AU: Liao, Yifeng;Baker, Ian;
19:215:2     On the room-temperature deformation mechanisms of lamellar-structured Fe30Ni20Mn35Al15
DOI:10.1016/j.msea.2011.01.089  JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES  PY:2011
  TC:7  AU: Liao, Yifeng;Baker, Ian;
19:215:3     Effect of Al content on the microstructure and mechanical behavior of two-phase FeNiMnAl alloys
DOI:10.1007/s10853-013-7884-6  JN:JOURNAL OF MATERIALS SCIENCE  PY:2014
  TC:2  AU: Meng, Fanling;Qiu, Jingwen;Baker, Ian;
19:215:4     The effects of chromium on the microstructure and tensile behavior of Fe30Ni20Mn35Al15
DOI:10.1016/j.msea.2013.08.005  JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES  PY:2013
  TC:2  AU: Meng, Fanling;Qiu, Jingwen;Baker, Ian;
19:215:5     L1(2) precipitates within L2(1) ordered Fe-21.7Mn-14.5Al
DOI:10.1080/14786435.2011.586954  JN:PHILOSOPHICAL MAGAZINE  PY:2011
  TC:2  AU: Liao, Yifeng;Meng, Fanling;Baker, Ian;
19:216:1     Silicon-Based Thermoelectrics Made from a Boron-Doped Silicon Dioxide Nanocomposite
DOI:10.1021/cm401990c  JN:CHEMISTRY OF MATERIALS  PY:2013
  TC:2  AU: Snedaker, Matthew L.;Zhang, Yichi;Birkel, Christina S.;Wang, Heng;Day, Tristan;Shi, Yifeng;Ji, Xiulei;Kraemer, Stephan;Mills, Carolyn E.;Moosazadeh, Armin;Moskovits, Martin;Snyder, G. Jeffrey;Stucky, Galen D.;
19:216:2     Rapid Solid-State Synthesis of Nanostructured Silicon
DOI:10.1021/cm903410s  JN:CHEMISTRY OF MATERIALS  PY:2010
  TC:8  AU: Bux, Sabah K.;Rodriquez, Marc;Yeung, Michael T.;Yang, Crystal;Makhluf, Adam;Blair, Richard G.;Fleurial, Jean-Pierre;Kaner, Richard B.;
19:216:3     Synthesis of mesoporous Si1-xGexO2 (0.10 <= x <= 0.31) using a nonionic block copolymer template
DOI:10.1039/c0jm02057e  JN:JOURNAL OF MATERIALS CHEMISTRY  PY:2010
  TC:5  AU: Szczech, Jeannine R.;Lukowski, Mark A.;Jin, Song;
19:217:1     Joining highly conductive and oxidation resistant silver-based electrode materials to silicon for high temperature thermoelectric energy conversions
DOI:10.1016/j.matchemphys.2012.11.066  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2013
  TC:2  AU: Gan, Yong X.;Dynys, Frederick W.;
19:217:2     Using a functional epoxy, micron silver flakes, nano silver spheres, and treated single-wall carbon nanotubes to prepare high performance electrically conductive adhesives
DOI:10.1007/s13391-013-2243-y  JN:ELECTRONIC MATERIALS LETTERS  PY:2013
  TC:15  AU: Cui, Hui-Wang;Li, Dong-Sheng;Fan, Qiong;
19:217:3     Electrically conductive adhesive based on acrylate resin filled with silver plating graphite nanosheet
DOI:10.1016/j.synthmet.2011.01.004  JN:SYNTHETIC METALS  PY:2011
  TC:17  AU: Zhang, Yi;Qi, Shuhua;Wu, Xinming;Duan, Guochen;
19:217:4     Deformation and electrical properties of magnetic and vertically conductive composites with a chain-of-spheres structure
DOI:10.1007/s13391-013-3267-z  JN:ELECTRONIC MATERIALS LETTERS  PY:2014
  TC:0  AU: Choi, Chulmin;Hong, Soonkook;Chen, Li-Han;Liu, Chin-Hung;Choi, Duyoung;Kuru, Cihan;Jin, Sungho;
19:218:1     Solubility of YbTe in Sb2Te3 and thermodynamic properties of the solid solution
DOI:10.1016/j.jallcom.2011.04.025  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:4  AU: Aliev, Ziya S.;Ibadova, Gulnara I.;Tedenac, Jean-Claude;Shevelkov, Andrei V.;Babanly, Mahammad B.;
19:218:2     Phase equilibria study in systems Tl-Pb(Nd)-Bi-Te new phases of variable composition on the base of Tl9BiTe6
DOI:10.1016/j.jallcom.2009.08.157  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:5  AU: Babanly, M. B.;Tedenac, J. -C.;Imamalieva, S. Z.;Guseynov, F. N.;Dashdieva, G. B.;
19:218:3     Study of the YbTe-SnTe-Sb2Te3 quasi-ternary system
DOI:10.1016/j.jallcom.2014.03.036  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:0  AU: Aliev, Ziya S.;Ibadova, Gulnara I.;Tedenac, Jean-Claude;Babanly, Mahammad B.;
19:218:4     Phase diagram of the YbTe-Sb2Te3-Bi2Te3 quasi-ternary system
DOI:10.1016/j.jallcom.2013.11.225  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:2  AU: Aliev, Ziya S.;Rasulova, Konul D.;Amiraslanov, Imamaddin R.;Tedenac, Jean-Claude;Babanly, Mahammad B.;
19:219:1     Importance of Interfaces in Governing Thermal Transport in Composite Materials: Modeling and Experimental Perspectives
DOI:10.1021/am201496z  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2012
  TC:19  AU: Roy, Ajit K.;Farmer, Barry L.;Varshney, Vikas;Sihn, Sangwook;Lee, Jonghoon;Ganguli, Sabyasachi;
19:219:2     Effect of Thermal Interface on Heat Flow in Carbon Nanofiber Composites
DOI:10.1021/am4046102  JN:ACS APPLIED MATERIALS & INTERFACES  PY:2014
  TC:3  AU: Gardea, F.;Naraghi, M.;Lagoudas, D.;
19:220:1     On the Significance of the Thermoelectric Figure of Merit Z
DOI:10.1007/s11664-009-1060-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:12  AU: Nemir, David;Beck, Jan;
19:220:2     Features of the Behavior of the Figure of Merit for p-Type Solid Solutions Based on Bismuth and Antimony Chalcogenides
DOI:10.1007/s11664-009-1007-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:5  AU: Lukyanova, L. N.;Kutasov, V. A.;Konstantinov, P. P.;Popov, V. V.;
19:220:3     Structure of Profiled Crystals Based on Solid Solutions of Bi2Te3 and Their X-Ray Diagnostics
DOI:10.1007/s11664-011-1573-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:0  AU: Voronin, A. I.;Bublik, V. T.;Tabachkova, N. Yu;Belov, Yu M.;
19:220:4     Parameters of the Constant-Energy Surface and Features of Charge Carrier Scattering of Bi2Te3-Based Epitaxial Films
DOI:10.1007/s11664-012-2432-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:1  AU: Lukyanova, L. N.;Boikov, Yu. A.;Danilov, V. A.;Volkov, M. P.;Kutasov, V. A.;
19:221:1     Improvement in rectification ratio of an Al-based bulk thermal rectifier working at high temperatures
DOI:10.1063/1.4712420  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:3  AU: Takeuchi, Tsunehiro;Goto, Hiroki;Nakayama, Ryu-suke;Terazawa, Yu-ichi;Ogawa, Koto;Yamamoto, Akio;Itoh, Takashi;Mikami, Masashi;
19:221:2     Role of Temperature Dependent Chemical Potential on Thermoelectric Power
DOI:10.2320/matertrans.M2009349  JN:MATERIALS TRANSACTIONS  PY:2010
  TC:4  AU: Takeuchi, Tsunehiro;Toyama, Yasuhiro;Yamamoto, Akio;
19:221:3     Development of a Thermal Rectifier Usable at High Temperature
DOI:10.1007/s11664-011-1556-6  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2011
  TC:1  AU: Takeuchi, Tsunehiro;Goto, Hiroki;Toyama, Yasuhiro;Itoh, Takashi;Mikami, Masashi;
19:221:4     Effect of Chemical Potential on Thermoelectric Power of Bi2Te3 and Bi2Se3
DOI:10.2320/matertrans.E-M2011809  JN:MATERIALS TRANSACTIONS  PY:2011
  TC:1  AU: Yamamoto, Akio;Ogawa, Koto;Takeuchi, Tsunehiro;
19:222:1     Controlled improvement in specific contact resistivity for thermoelectric materials by ion implantation
DOI:10.1063/1.4816054  JN:APPLIED PHYSICS LETTERS  PY:2013
  TC:1  AU: Taylor, Patrick J.;Maddux, Jay R.;Meissner, Greg;Venkatasubramanian, Rama;Bulman, Gary;Pierce, Jonathan;Gupta, Rahul;Bierschenk, Jim;Caylor, Chris;D'Angelo, Jonathan;Ren, Zhifeng;
19:222:2     Preparation of clean Bi2Te3 and Sb2Te3 thin films to determine alignment at valence band maxima
DOI:10.1116/1.3581053  JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A  PY:2011
  TC:4  AU: Fang, Fang;Opila, Robert L.;Venkatasubramanian, Rama;Colpitts, Thomas;
19:222:3     High-output-power densities from molecular beam epitaxy grown n- and p-type PbTeSe-based thermoelectrics via improved contact metallization
DOI:10.1063/1.4712425  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:1  AU: Goodhue, W. G.;Reeder, R. E.;Vineis, C. J.;Calawa, S. D.;Dauplaise, H. M.;Vangala, S.;Walsh, M. P.;Harman, T. C.;
19:222:4     Measurement of Thermal Conductivity Using Steady-State Isothermal Conditions and Validation by Comparison with Thermoelectric Device Performance
DOI:10.1007/s11664-012-2178-3  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:3  AU: Taylor, Patrick J.;Maddux, Jay R.;Uppal, Parvez N.;
19:223:1     Magnetic and magnetotransport properties of misfit cobaltate Ca3Co3.93O9+delta
DOI:10.1063/1.3677312  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:9  AU: Hejtmanek, J.;Knizek, K.;Marysko, M.;Jirak, Z.;Sedmidubsky, D.;Jankovsky, O.;Huber, S.;Masschelein, P.;Lenoir, B.;
19:223:2     Phase separation in the CoO2 layer observed in thermoelectric layered cobalt dioxides
DOI:10.1103/PhysRevB.81.014401  JN:PHYSICAL REVIEW B  PY:2010
  TC:3  AU: Takami, Tsuyoshi;Nanba, Hiroshi;Umeshima, Yasuhide;Itoh, Masayuki;Nozaki, Hiroshi;Itahara, Hiroshi;Sugiyama, Jun;
19:223:3     Contribution of carriers in both the metallic and semiconducting phase to the transport properties in the Sr-Co-O-C system
DOI:10.1063/1.3624901  JN:APPLIED PHYSICS LETTERS  PY:2011
  TC:0  AU: Takami, Tsuyoshi;Tsuchihashi, Kazushige;Kawano, Ryoko;
19:224:1     Huge isotope effect on the vibrational lifetimes of an H*(2) (C) defect in Si
DOI:10.1103/PhysRevB.87.115207  JN:PHYSICAL REVIEW B  PY:2013
  TC:2  AU: Gibbons, T. M.;Estreicher, S. K.;Potter, K.;Bekisli, F.;Stavola, M.;
19:224:2     Microscopic structure of a VH4 center trapped by C in Si
DOI:10.1103/PhysRevB.84.195205  JN:PHYSICAL REVIEW B  PY:2011
  TC:4  AU: Peng, Chao;Zhang, Haoxiang;Stavola, Michael;Fowler, W. Beall;Esham, Benjamin;Estreicher, Stefan K.;Docaj, Andris;Carnel, Lode;Seacrist, Mike;
19:224:3     Interaction of hydrogen with carbon in multicrystalline Si solar-cell materials
DOI:10.1063/1.3561367  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:6  AU: Peng, Chao;Zhang, Haoxiang;Stavola, Michael;Yelundur, Vijay;Rohatgi, Ajeet;Carnel, Lode;Seacrist, Mike;Kalejs, Juris;
19:225:1     Magnetic properties of Gd4Y3Pd3 single crystal
DOI:10.1016/j.jcrysgro.2010.01.047  JN:JOURNAL OF CRYSTAL GROWTH  PY:2010
  TC:5  AU: Talik, E.;Oboz, M.;Tran, V. H.;Kusz, J.;Hofmeister, W.;Winiarski, A.;
19:225:2     Magnetic and transport properties of Gd7-xYxPd3 (x=0-6) system
DOI:10.1016/j.jallcom.2013.08.084  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:1  AU: Talik, E.;Oboz, M.;Kusz, J.;Winiarski, A.;Hofmeister, W.;
19:225:3     Magnetic and transport properties of Gd3Y4Pd3 single crystal
DOI:10.1016/j.jallcom.2009.11.105  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:2  AU: Oboz, M.;Talik, E.;Kusz, J.;Hofmeister, W.;
19:225:4     Physical properties of Gd7NiPd2 single crystal
DOI:10.1016/j.jallcom.2011.01.034  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2011
  TC:1  AU: Oboz, M.;Talik, E.;Kusz, J.;Winiarski, A.;
19:226:1     Melt Spinning of Clathrates: Electron Microscopy Study and Effect of Composition on Grain Size
DOI:10.1007/s11664-012-2358-1  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2013
  TC:7  AU: Prokofiev, A.;Ikeda, M.;Makalkina, E.;Svagera, R.;Waas, M.;Paschen, S.;
19:226:2     Crystal growth of intermetallic clathrates: Floating zone process and ultra rapid crystallization
DOI:10.1016/j.jcrysgro.2014.01.081  JN:JOURNAL OF CRYSTAL GROWTH  PY:2014
  TC:0  AU: Prokofiev, A.;Yan, X.;Ikeda, M.;Loeffler, S.;Paschen, S.;
19:226:3     Meltspun Ba8Ga16-xGe30+x clathrates
DOI:10.1557/jmr.2011.184  JN:JOURNAL OF MATERIALS RESEARCH  PY:2011
  TC:6  AU: Laumann, S.;Ikeda, M.;Sassik, H.;Prokofiev, A.;Paschen, S.;
19:227:1     Structural and electrical studies on nanostructured InSe thin films
DOI:10.1016/j.apsusc.2013.03.068  JN:APPLIED SURFACE SCIENCE  PY:2013
  TC:7  AU: Darwish, A. A. A.;El-Nahass, M. M.;Bahlol, M. H.;
19:227:2     AC electrical conductivity and dielectric studies on evaporated nanostructured InSe thin films
DOI:10.1016/j.jallcom.2013.10.054  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2014
  TC:3  AU: Darwish, A. A. A.;El-Nahass, M. M.;Bekheet, A. E.;
19:227:3     Gamma irradiation effect on the structural and optical properties of nanostructured InSe thin films
DOI:10.1016/j.jnoncrysol.2013.10.012  JN:JOURNAL OF NON-CRYSTALLINE SOLIDS  PY:2013
  TC:1  AU: El-Nahass, M. M.;Darwish, A. A. A.;El-Zaidia, E. F. M.;Bekheet, A. E.;
19:228:1     Polaron conduction in Li-x[Ni1/3Mn1/3Co1/3]O2-delta (x=1, 0.9 and delta=0, 0.05) cathodes
DOI:10.1063/1.3428371  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:3  AU: Kabi, S.;Ghosh, A.;
19:228:2     The electric transport properties of Al-doped ZnO/BiFeO(3)/ITO glass heterostructure
DOI:10.1063/1.3567304  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:3  AU: Fan, Fei;Chen, Changle;Luo, Bingcheng;Jin, Kexin;
19:228:3     Electric transport and field-induced properties in ZnO/La0.4Gd0.1Sr0.5CoO3/Si heterostructure
DOI:10.1063/1.4823777  JN:JOURNAL OF APPLIED PHYSICS  PY:2013
  TC:3  AU: Ren, R.;Li, Xuan;Wang, Weiren;Zhao, Zhongxia;Liu, Lin;
19:229:1     Thermal properties of nanotubes and nanowires with acoustically stiffened surfaces
DOI:10.1063/1.3682114  JN:JOURNAL OF APPLIED PHYSICS  PY:2012
  TC:0  AU: Bifano, Michael F. P.;Prakash, Vikas;
19:229:2     Application of elastic wave dispersion relations to estimate thermal properties of nanoscale wires and tubes of varying wall thickness and diameter
DOI:10.1088/0957-4484/21/23/235704  JN:NANOTECHNOLOGY  PY:2010
  TC:4  AU: Bifano, Michael F. P.;Kaul, Pankaj B.;Prakash, Vikas;
19:229:3     Acoustic vibrations of a circular nanowire by considering the effect of surface
DOI:10.1063/1.3610498  JN:JOURNAL OF APPLIED PHYSICS  PY:2011
  TC:5  AU: Huang, Gan-Yun;Kang, Yi-Lan;
19:230:1     Effect of progressive substitution of Bi3+ by La3+ on the structural, magnetic, and transport properties of Bi0.6Ca0.4MnO3
DOI:10.1063/1.3506683  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:5  AU: Zhang, R. R.;Kuang, G. L.;Yin, L. H.;Sun, Y. P.;
19:230:2     Effect of Nd doping on the magnetic properties of charge-ordered Bi0.6-x Nd (x) Ca0.4MnO3 (0.0a parts per thousand currency signxa parts per thousand currency sign0.6) perovskite manganites
DOI:10.1007/s00339-012-7295-6  JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING  PY:2013
  TC:0  AU: Yadav, Kamlesh;Singh, M. P.;Singh, H. K.;Razavi, F. S.;Varma, G. D.;
19:230:3     Magnetic and charge ordering properties of Bi0.6-xEuxCa0.4MnO3 (0.0 <= x <= 0.6)
DOI:10.1016/j.jmmm.2012.07.013  JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS  PY:2012
  TC:1  AU: Yadav, Kamlesh;Singh, M. P.;Razavi, F. S.;Varma, G. D.;
19:231:1     Adhesion at diamond/metal interfaces: A density functional theory study
DOI:10.1063/1.3277013  JN:JOURNAL OF APPLIED PHYSICS  PY:2010
  TC:7  AU: Guo, Haibo;Qi, Yue;Li, Xiaodong;
19:231:2     Electronic and structural properties of diamond (001) surfaces terminated by selected transition metals
DOI:10.1103/PhysRevB.86.155301  JN:PHYSICAL REVIEW B  PY:2012
  TC:0  AU: Tiwari, Amit K.;Goss, J. P.;Briddon, P. R.;Wright, Nick G.;Horsfall, Alton B.;Rayson, M. J.;
19:232:1     Economical Route to Produce High Seebeck Coefficient Calcium Cobaltate for Bulk Thermoelectric Applications
DOI:10.1111/j.1551-2916.2011.04819.x  JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY  PY:2011
  TC:2  AU: Selig, Jiri;Lin, Sidney;Lin, Hua-Tay;Johnson, D. Ray;Wang, Hsin;
19:232:2     High Seebeck Coefficient in Solution-Grown PbS Films
DOI:10.1007/s11664-013-2862-y  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Wahab, Fazal;Fernandes, Gustavo E.;Kim, Jin Ho;Jung, Seungwoo;Kim, Ki-Bum;Sayyad, M. Hassan;Xu, Jimmy;
19:232:3     Self-propagating High-temperature Synthesis of Ca1.24Co1.62O3.86 thermoelectric powders
DOI:10.1016/j.jallcom.2010.05.018  JN:JOURNAL OF ALLOYS AND COMPOUNDS  PY:2010
  TC:1  AU: Lin, Sidney;Selig, Jiri;
19:233:1     Precise Control of Na Content in the Layered Cobaltate gamma-Na (x) CoO2
DOI:10.1007/s11664-010-1238-9  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:5  AU: Igarashi, Dai;Miyazaki, Yuzuru;Yubuta, Kunio;Kajitani, Tsuyoshi;
19:233:2     Epitaxial growth and control of the sodium content in NaxCoO2 thin films
DOI:10.1016/j.tsf.2013.08.072  JN:THIN SOLID FILMS  PY:2013
  TC:2  AU: Hildebrandt, Sandra;Komissinskiy, Philipp;Major, Marton;Donner, Wolfgang;Alff, Lambert;
19:233:3     Electrochemical investigation of the P2-NaxCoO2 phase diagram
DOI:10.1038/NMAT2920  JN:NATURE MATERIALS  PY:2011
  TC:272  AU: Berthelot, R.;Carlier, D.;Delmas, C.;
19:234:1     First principles investigation of electronic, optical and transport properties of alpha- and beta-phase of arsenic telluride
DOI:10.1016/j.optmat.2011.01.020  JN:OPTICAL MATERIALS  PY:2011
  TC:3  AU: Sharma, Yamini;Srivastava, Pankaj;
19:234:2     Electroconductive properties in doped spinel oxides
DOI:10.1016/j.optmat.2014.08.010  JN:OPTICAL MATERIALS  PY:2014
  TC:1  AU: Dwivedi, Shalini;Sharma, Ramesh;Sharma, Yamini;
19:234:3     First principles investigation of electronic, optical and transport properties of alpha- and beta-phase of Arsenic telluride (vol 33, pg 899, 2011)
DOI:10.1016/j.optmat.2011.04.035  JN:OPTICAL MATERIALS  PY:2011
  TC:0  AU: Sharma, Yamini;Srivastava, Pankaj;
19:235:1     Structural Phase Transitions and Thermoelectric Properties of AgPb18SbTe20 Under Compression
DOI:10.1007/s11664-010-1088-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:6  AU: Kumar, Ravhi S.;Balasubramanian, Mahalingam;Jacobsen, Matthew;Bommannavar, Arunkumar;Kanatzidis, Mercouri;Yoneda, Seiji;Cornelius, Andrew L.;
19:235:2     Transport Properties of Ni and PbTe Under Pressure
DOI:10.1007/s11664-012-1945-5  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:2  AU: Jacobsen, Matthew K.;Kumar, Ravhi S.;Cornelius, Andrew L.;
19:236:1     Properties of p- and n-Type PbTe Microwires for Thermoelectric Devices
DOI:10.1007/s11664-014-3327-7  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:0  AU: Bhatta, Rudra P.;Henderson, Mark;Eufrasio, Andreza;Pegg, Ian L.;Dutta, Biprodas;
19:236:2     Processing and Thermal Conductivity of Lead Telluride Microwires
DOI:10.1007/s11664-014-3111-8  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2014
  TC:1  AU: Bhatta, Rudra P.;Annamalai, Sezhian;Brandys, Marek;Pegg, Ian L.;Dutta, Biprodas;
19:237:1     Fabrication of nanotubules of thermoelectric gamma-Na0.7CoO2 using porous aluminum oxide membrane as supporting template
DOI:10.1016/j.matchemphys.2009.09.016  JN:MATERIALS CHEMISTRY AND PHYSICS  PY:2010
  TC:4  AU: Liu, Chia-Jyi;Chen, Shu-Yo;Shih, Long-Jiann;Huang, Hsueh-Jung;
19:237:2     Synthesis of submicron tubules of sodium cobaltate using a natural template of bamboo charcoal as supporting templates
DOI:10.1016/j.matlet.2011.10.113  JN:MATERIALS LETTERS  PY:2012
  TC:2  AU: Liu, Chia-Jyi;Chen, Yong-Zhi;
19:238:1     Thermoelectric Properties of (ZnSb)(1-x)-(MSb)(x) Binary Systems
DOI:10.3365/eml.2010.12.193  JN:ELECTRONIC MATERIALS LETTERS  PY:2010
  TC:4  AU: Jang, Kyung-Wook;Oh, Han-Jun;Kim, In-Ki;Kim, Ii-Ho;Lee, Jung-Ii;
19:238:2     Thermoelectric Properties of (ZnSb)(1-x)-(MSb)(x) Binary Systems (vol 6, pg 193, 2010)
DOI:10.1007/s13391-012-1365-y  JN:ELECTRONIC MATERIALS LETTERS  PY:2012
  TC:0  AU: Jang, Kyung-Wook;Oh, Han-Jun;Kim, In-Ki;Kim, Il-Ho;Lee, Jung-Il;
19:239:1     Thermoelectric infrared microsensors based on a periodically suspended thermopile integrating nanostructured Ge/SiGe quantum dots superlattice
DOI:10.1063/1.4891020  JN:JOURNAL OF APPLIED PHYSICS  PY:2014
  TC:1  AU: Ziouche, K.;Savelli, G.;Bougrioua, Z.;Hauser, D.;Lejeune, P.;Michon, P. -M.;Lasri, T.;Leclercq, D.;
19:239:2     Growth of heavily doped monocrystalline and polycrystalline SiGe-based quantum dot superlattices
DOI:10.1016/j.tsf.2012.02.022  JN:THIN SOLID FILMS  PY:2012
  TC:5  AU: Hauser, David;Savelli, Guillaume;Plissonnier, Marc;Montes, Laurent;Simon, Julia;
19:240:1     Thermoelectric Properties of Off-Stoichiometric Ti-Ni-Sn Half-Heusler Systems
DOI:10.1007/s11664-012-2048-z  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2012
  TC:1  AU: Hazama, Hirofumi;Matsubara, Masato;Asahi, Ryoji;
19:240:2     Study of Electronic Structure and Defect Formation in Ti1-x Ni1+x Sn Half-Heusler Alloys
DOI:10.1007/s11664-010-1283-4  JN:JOURNAL OF ELECTRONIC MATERIALS  PY:2010
  TC:6  AU: Hazama, Hirofumi;Asahi, Ryoji;Matsubara, Masato;Takeuchi, Tsunehiro;
19:241:1     Electronic and Thermal Transport Properties of Complex Structured Cu-Bi-Se Thermoelectric Compound with Low Lattice Thermal Conductivity
DOI:10.1155/2013/502150  JN:JOURNAL OF NANOMATERIALS  PY:2013
  TC:2  AU: Hwang, Jae-Yeol;Mun, Hyeona;Cho, Jung Young;Yang, Sang Sun;Lee, Kyu Hyoung;Kim, Sung Wng;
19:241:2     Cu-Bi-Se-based pavonite homologue: a promising thermoelectric material with low lattice thermal conductivity
DOI:10.1039/c3ta11457k  JN:JOURNAL OF MATERIALS CHEMISTRY A  PY:2013
  TC:4  AU: Cho, Jung Young;Mun, Hyeona;Ryu, Byungki;Kim, Sang Il;Hwang, Sungwoo;Roh, Jong Wook;Yang, Dae Jin;Shin, Weon Ho;Lee, Sang Mock;Choi, Soon-Mok;Kang, Dae Joon;Kim, Sung Wng;Lee, Kyu Hyoung;
19:242:1     Electrical properties of individual Ag2Te nanowires synthesized by a facile hydrothermal approach
DOI:10.1016/j.matlet.2012.05.009  JN:MATERIALS LETTERS  PY:2012
  TC:3  AU: Li, Ning;Zhao, Bao;Zhou, Shaomin;Lou, Shiyun;Wang, Yongqiang;
19:242:2     Hydrothermal Synthesis and Mechanism of Unusual Zigzag Ag2Te and Ag2Te/C Core-Shell Nanostructures
DOI:10.1155/2014/350981  JN:JOURNAL OF NANOMATERIALS  PY:2014
  TC:0  AU: Manzoor, Saima;Liu, Yumin;Yu, Zhongyuan;Fu, Xiuli;Ban, Guijun;
19:243:1     Infrared optical properties of calcium lanthanum sulfide
DOI:10.1016/j.matlet.2009.11.007  JN:MATERIALS LETTERS  PY:2010
  TC:5  AU: Merzbacher, Celia I.;Chess, Daniel L.;White, William B.;
19:243:2     Influence of Bi2S3 on the optical properties of gamma-La2S3 ceramics
DOI:10.1016/j.scriptamat.2011.02.012  JN:SCRIPTA MATERIALIA  PY:2011
  TC:0  AU: Li, Peisen;Jie, Wanqi;Li, Huanyong;Tang, Qingxin;Sha, Huan;